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/data/set3/all.sdf

http://github.com/rajarshi/cdkr
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  335. M  END
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  380. M  END
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  382. dan012.hin
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  383.  OpenBabel0803D
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  425. M  END
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  427. dan013.hin
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  428.  OpenBabel0803D
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  470. M  END
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  471. $$$$
    472. 

  472. dan014.hin
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  473.  OpenBabel0803D
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  521. M  END
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  523. dan015.hin
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  524.  OpenBabel0803D
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  572. M  END
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  573. $$$$
    574. 

  574. dan016.hin
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  575.  OpenBabel0803D
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  594.     3.8579    3.4717    0.8214 H   0  0  0  0  0
    595. 

  595.     6.0178    3.8588   -0.3767 H   0  0  0  0  0
    596. 

  596.     6.1689    2.4458    0.6764 H   0  0  0  0  0
    597. 

  597.     5.9623    2.2303   -1.0667 H   0  0  0  0  0
    598. 

  598.     5.0385    0.6985    1.6488 H   0  0  0  0  0
    599. 

  599.     3.6641    1.5647    2.3543 H   0  0  0  0  0
    600. 

  600.     3.4427   -0.0830    1.7371 H   0  0  0  0  0
    601. 

  601.   1  2  1  0  0  0
    602. 

  602.   1  8  1  0  0  0
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  603.   1  9  1  0  0  0
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  604.   1 10  1  0  0  0
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  605.   2  3  1  0  0  0
    606. 

  606.   2 11  1  0  0  0
    607. 

  607.   2 12  1  0  0  0
    608. 

  608.   3  4  1  0  0  0
    609. 

  609.   3 13  1  0  0  0
    610. 

  610.   3 14  1  0  0  0
    611. 

  611.   4  5  1  0  0  0
    612. 

  612.   4  7  1  0  0  0
    613. 

  613.   4 15  1  0  0  0
    614. 

  614.   5  6  1  0  0  0
    615. 

  615.   5 16  1  0  0  0
    616. 

  616.   5 17  1  0  0  0
    617. 

  617.   6 18  1  0  0  0
    618. 

  618.   6 19  1  0  0  0
    619. 

  619.   6 20  1  0  0  0
    620. 

  620.   7 21  1  0  0  0
    621. 

  621.   7 22  1  0  0  0
    622. 

  622.   7 23  1  0  0  0
    623. 

  623. M  END
    624. 

  624. $$$$
    625. 

  625. dan017.hin
    626. 

  626.  OpenBabel0803D
    627. 

  627. 

  628.  23 22  0  0  0  0  0  0  0  0999 V2000
    629. 

  629.     0.0000    0.0000    0.0000 C   0  0  0  0  0
    630. 

  630.     1.5094    0.0000    0.0000 C   0  0  0  0  0
    631. 

  631.     2.0770    1.4118    0.0000 C   0  0  0  0  0
    632. 

  632.     3.6161    1.4229    0.0031 C   0  0  0  0  0
    633. 

  633.     4.1066    2.8695    0.0026 C   0  0  0  0  0
    634. 

  634.     4.1328    0.7176    1.2559 C   0  0  0  0  0
    635. 

  635.     4.1376    0.7152   -1.2464 C   0  0  0  0  0
    636. 

  636.    -0.3975   -1.0228    0.0026 H   0  0  0  0  0
    637. 

  637.    -0.4048    0.5125    0.8828 H   0  0  0  0  0
    638. 

  638.    -0.4046    0.5078   -0.8856 H   0  0  0  0  0
    639. 

  639.     1.9072   -0.5502    0.8827 H   0  0  0  0  0
    640. 

  640.     1.9074   -0.5503   -0.8825 H   0  0  0  0  0
    641. 

  641.     1.7067    1.9663   -0.8856 H   0  0  0  0  0
    642. 

  642.     1.7030    1.9680    0.8831 H   0  0  0  0  0
    643. 

  643.     5.2035    2.9142    0.0059 H   0  0  0  0  0
    644. 

  644.     3.7558    3.4133   -0.8846 H   0  0  0  0  0
    645. 

  645.     3.7503    3.4158    0.8862 H   0  0  0  0  0
    646. 

  646.     5.2199    0.5731    1.2221 H   0  0  0  0  0
    647. 

  647.     3.9019    1.2934    2.1620 H   0  0  0  0  0
    648. 

  648.     3.6586   -0.2716    1.3676 H   0  0  0  0  0
    649. 

  649.     5.2243    0.5689   -1.2071 H   0  0  0  0  0
    650. 

  650.     3.6622   -0.2734   -1.3590 H   0  0  0  0  0
    651. 

  651.     3.9122    1.2899   -2.1545 H   0  0  0  0  0
    652. 

  652.   1  2  1  0  0  0
    653. 

  653.   1  8  1  0  0  0
    654. 

  654.   1  9  1  0  0  0
    655. 

  655.   1 10  1  0  0  0
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  656.   2  3  1  0  0  0
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  657.   2 11  1  0  0  0
    658. 

  658.   2 12  1  0  0  0
    659. 

  659.   3  4  1  0  0  0
    660. 

  660.   3 13  1  0  0  0
    661. 

  661.   3 14  1  0  0  0
    662. 

  662.   4  5  1  0  0  0
    663. 

  663.   4  6  1  0  0  0
    664. 

  664.   4  7  1  0  0  0
    665. 

  665.   5 15  1  0  0  0
    666. 

  666.   5 16  1  0  0  0
    667. 

  667.   5 17  1  0  0  0
    668. 

  668.   6 18  1  0  0  0
    669. 

  669.   6 19  1  0  0  0
    670. 

  670.   6 20  1  0  0  0
    671. 

  671.   7 21  1  0  0  0
    672. 

  672.   7 22  1  0  0  0
    673. 

  673.   7 23  1  0  0  0
    674. 

  674. M  END
    675. 

  675. $$$$
    676. 

  676. dan018.hin
    677. 

  677.  OpenBabel0803D
    678. 

  678. 

  679.  23 22  0  0  0  0  0  0  0  0999 V2000
    680. 

  680.     0.0000    0.0000    0.0000 C   0  0  0  0  0
    681. 

  681.     1.5120    0.0000    0.0000 C   0  0  0  0  0
    682. 

  682.     2.0971    1.4162    0.0000 C   0  0  0  0  0
    683. 

  683.     3.5707    1.4101    0.4564 C   0  0  0  0  0
    684. 

  684.     4.1489    2.8182    0.4545 C   0  0  0  0  0
    685. 

  685.     3.7238    0.8136    1.8476 C   0  0  0  0  0
    686. 

  686.     1.9713    2.0292   -1.3881 C   0  0  0  0  0
    687. 

  687.    -0.3953   -1.0239    0.0084 H   0  0  0  0  0
    688. 

  688.    -0.4064    0.5157    0.8804 H   0  0  0  0  0
    689. 

  689.    -0.4094    0.5009   -0.8880 H   0  0  0  0  0
    690. 

  690.     1.8812   -0.5533    0.8928 H   0  0  0  0  0
    691. 

  691.     1.8935   -0.5656   -0.8735 H   0  0  0  0  0
    692. 

  692.     1.5187    2.0426    0.7237 H   0  0  0  0  0
    693. 

  693.     4.1485    0.7840   -0.2672 H   0  0  0  0  0
    694. 

  694.     5.2291    2.8053    0.6455 H   0  0  0  0  0
    695. 

  695.     3.9823    3.3151   -0.5151 H   0  0  0  0  0
    696. 

  696.     3.6840    3.4479    1.2251 H   0  0  0  0  0
    697. 

  697.     4.7805    0.7362    2.1324 H   0  0  0  0  0
    698. 

  698.     3.2194    1.4243    2.6086 H   0  0  0  0  0
    699. 

  699.     3.2870   -0.1969    1.8985 H   0  0  0  0  0
    700. 

  700.     2.4663    3.0132   -1.4323 H   0  0  0  0  0
    701. 

  701.     2.4386    1.3977   -2.1559 H   0  0  0  0  0
    702. 

  702.     0.9201    2.1698   -1.6710 H   0  0  0  0  0
    703. 

  703.   1  2  1  0  0  0
    704. 

  704.   1  8  1  0  0  0
    705. 

  705.   1  9  1  0  0  0
    706. 

  706.   1 10  1  0  0  0
    707. 

  707.   2  3  1  0  0  0
    708. 

  708.   2 11  1  0  0  0
    709. 

  709.   2 12  1  0  0  0
    710. 

  710.   3  4  1  0  0  0
    711. 

  711.   3  7  1  0  0  0
    712. 

  712.   3 13  1  0  0  0
    713. 

  713.   4  5  1  0  0  0
    714. 

  714.   4  6  1  0  0  0
    715. 

  715.   4 14  1  0  0  0
    716. 

  716.   5 15  1  0  0  0
    717. 

  717.   5 16  1  0  0  0
    718. 

  718.   5 17  1  0  0  0
    719. 

  719.   6 18  1  0  0  0
    720. 

  720.   6 19  1  0  0  0
    721. 

  721.   6 20  1  0  0  0
    722. 

  722.   7 21  1  0  0  0
    723. 

  723.   7 22  1  0  0  0
    724. 

  724.   7 23  1  0  0  0
    725. 

  725. M  END
    726. 

  726. $$$$
    727. 

  727. dan019.hin
    728. 

  728.  OpenBabel0803D
    729. 

  729. 

  730.  23 22  0  0  0  0  0  0  0  0999 V2000
    731. 

  731.     0.0000    0.0000    0.0000 C   0  0  0  0  0
    732. 

  732.     1.5217    0.0000    0.0000 C   0  0  0  0  0
    733. 

  733.     2.0505    1.4383    0.0000 C   0  0  0  0  0
    734. 

  734.     3.4380    1.5801   -0.6346 C   0  0  0  0  0
    735. 

  735.     3.6205    2.9853   -1.1893 C   0  0  0  0  0
    736. 

  736.     4.5461    1.2748    0.3603 C   0  0  0  0  0
    737. 

  737.     2.0335   -0.7880    1.1949 C   0  0  0  0  0
    738. 

  738.    -0.3976   -1.0230    0.0276 H   0  0  0  0  0
    739. 

  739.    -0.4037    0.5326    0.8716 H   0  0  0  0  0
    740. 

  740.    -0.4048    0.4848   -0.8981 H   0  0  0  0  0
    741. 

  741.     1.8706   -0.5076   -0.9336 H   0  0  0  0  0
    742. 

  742.     1.3369    2.0797   -0.5582 H   0  0  0  0  0
    743. 

  743.     2.0607    1.8409    1.0328 H   0  0  0  0  0
    744. 

  744.     3.5166    0.8566   -1.4839 H   0  0  0  0  0
    745. 

  745.     4.6189    3.1132   -1.6279 H   0  0  0  0  0
    746. 

  746.     2.8865    3.2090   -1.9746 H   0  0  0  0  0
    747. 

  747.     3.5062    3.7464   -0.4058 H   0  0  0  0  0
    748. 

  748.     5.5340    1.3215   -0.1156 H   0  0  0  0  0
    749. 

  749.     4.5490    1.9879    1.1957 H   0  0  0  0  0
    750. 

  750.     4.4298    0.2665    0.7896 H   0  0  0  0  0
    751. 

  751.     3.1350   -0.7900    1.2292 H   0  0  0  0  0
    752. 

  752.     1.6772   -0.3637    2.1433 H   0  0  0  0  0
    753. 

  753.     1.7004   -1.8331    1.1565 H   0  0  0  0  0
    754. 

  754.   1  2  1  0  0  0
    755. 

  755.   1  8  1  0  0  0
    756. 

  756.   1  9  1  0  0  0
    757. 

  757.   1 10  1  0  0  0
    758. 

  758.   2  3  1  0  0  0
    759. 

  759.   2  7  1  0  0  0
    760. 

  760.   2 11  1  0  0  0
    761. 

  761.   3  4  1  0  0  0
    762. 

  762.   3 12  1  0  0  0
    763. 

  763.   3 13  1  0  0  0
    764. 

  764.   4  5  1  0  0  0
    765. 

  765.   4  6  1  0  0  0
    766. 

  766.   4 14  1  0  0  0
    767. 

  767.   5 15  1  0  0  0
    768. 

  768.   5 16  1  0  0  0
    769. 

  769.   5 17  1  0  0  0
    770. 

  770.   6 18  1  0  0  0
    771. 

  771.   6 19  1  0  0  0
    772. 

  772.   6 20  1  0  0  0
    773. 

  773.   7 21  1  0  0  0
    774. 

  774.   7 22  1  0  0  0
    775. 

  775.   7 23  1  0  0  0
    776. 

  776. M  END
    777. 

  777. $$$$
    778. 

  778. dan020.hin
    779. 

  779.  OpenBabel0803D
    780. 

  780. 

  781.  23 22  0  0  0  0  0  0  0  0999 V2000
    782. 

  782.     0.0000    0.0000    0.0000 C   0  0  0  0  0
    783. 

  783.     1.5123    0.0000    0.0000 C   0  0  0  0  0
    784. 

  784.     2.1513    1.4011    0.0000 C   0  0  0  0  0
    785. 

  785.     3.6849    1.2213    0.0009 C   0  0  0  0  0
    786. 

  786.     4.4243    2.5417    0.0012 C   0  0  0  0  0
    787. 

  787.     1.7416    2.1737   -1.2530 C   0  0  0  0  0
    788. 

  788.     1.7400    2.1744    1.2521 C   0  0  0  0  0
    789. 

  789.    -0.3909   -1.0258    0.0023 H   0  0  0  0  0
    790. 

  790.    -0.4102    0.5080    0.8834 H   0  0  0  0  0
    791. 

  791.    -0.4098    0.5039   -0.8860 H   0  0  0  0  0
    792. 

  792.     1.8775   -0.5626    0.8835 H   0  0  0  0  0
    793. 

  793.     1.8774   -0.5625   -0.8835 H   0  0  0  0  0
    794. 

  794.     3.9839    0.6240    0.8852 H   0  0  0  0  0
    795. 

  795.     3.9848    0.6245   -0.8834 H   0  0  0  0  0
    796. 

  796.     5.5106    2.4005    0.0012 H   0  0  0  0  0
    797. 

  797.     4.1527    3.1413   -0.8834 H   0  0  0  0  0
    798. 

  798.     4.1526    3.1413    0.8859 H   0  0  0  0  0
    799. 

  799.     2.3802    3.0632   -1.3856 H   0  0  0  0  0
    800. 

  800.     1.8484    1.5573   -2.1554 H   0  0  0  0  0
    801. 

  801.     0.6989    2.5134   -1.2049 H   0  0  0  0  0
    802. 

  802.     2.3803    3.0624    1.3868 H   0  0  0  0  0
    803. 

  803.     0.6983    2.5167    1.2012 H   0  0  0  0  0
    804. 

  804.     1.8430    1.5573    2.1544 H   0  0  0  0  0
    805. 

  805.   1  2  1  0  0  0
    806. 

  806.   1  8  1  0  0  0
    807. 

  807.   1  9  1  0  0  0
    808. 

  808.   1 10  1  0  0  0
    809. 

  809.   2  3  1  0  0  0
    810. 

  810.   2 11  1  0  0  0
    811. 

  811.   2 12  1  0  0  0
    812. 

  812.   3  4  1  0  0  0
    813. 

  813.   3  6  1  0  0  0
    814. 

  814.   3  7  1  0  0  0
    815. 

  815.   4  5  1  0  0  0
    816. 

  816.   4 13  1  0  0  0
    817. 

  817.   4 14  1  0  0  0
    818. 

  818.   5 15  1  0  0  0
    819. 

  819.   5 16  1  0  0  0
    820. 

  820.   5 17  1  0  0  0
    821. 

  821.   6 18  1  0  0  0
    822. 

  822.   6 19  1  0  0  0
    823. 

  823.   6 20  1  0  0  0
    824. 

  824.   7 21  1  0  0  0
    825. 

  825.   7 22  1  0  0  0
    826. 

  826.   7 23  1  0  0  0
    827. 

  827. M  END
    828. 

  828. $$$$
    829. 

  829. dan021.hin
    830. 

  830.  OpenBabel0803D
    831. 

  831. 

  832.  23 22  0  0  0  0  0  0  0  0999 V2000
    833. 

  833.     0.0000    0.0000    0.0000 C   0  0  0  0  0
    834. 

  834.     1.5130    0.0000    0.0000 C   0  0  0  0  0
    835. 

  835.     2.0863    1.4214    0.0000 C   0  0  0  0  0
    836. 

  836.     3.6043    1.3838    0.2251 C   0  0  0  0  0
    837. 

  837.     4.0565    2.3879    1.2629 C   0  0  0  0  0
    838. 

  838.     1.7217    2.1252   -1.3105 C   0  0  0  0  0
    839. 

  839.     1.9537    3.6176   -1.2643 C   0  0  0  0  0
    840. 

  840.    -0.4026   -1.0123   -0.1248 H   0  0  0  0  0
    841. 

  841.    -0.4070    0.4055    0.9355 H   0  0  0  0  0
    842. 

  842.    -0.3898    0.6230   -0.8228 H   0  0  0  0  0
    843. 

  843.     1.8844   -0.5532    0.8857 H   0  0  0  0  0
    844. 

  844.     1.8932   -0.5547   -0.8809 H   0  0  0  0  0
    845. 

  845.     1.6071    1.9818    0.8419 H   0  0  0  0  0
    846. 

  846.     3.9226    0.3696    0.5418 H   0  0  0  0  0
    847. 

  847.     4.1389    1.5684   -0.7288 H   0  0  0  0  0
    848. 

  848.     5.1461    2.3621    1.3928 H   0  0  0  0  0
    849. 

  849.     3.7835    3.4145    0.9804 H   0  0  0  0  0
    850. 

  850.     3.6054    2.1897    2.2444 H   0  0  0  0  0
    851. 

  851.     2.2874    1.6780   -2.1523 H   0  0  0  0  0
    852. 

  852.     0.6489    1.9181   -1.5316 H   0  0  0  0  0
    853. 

  853.     1.6248    4.0982   -2.1945 H   0  0  0  0  0
    854. 

  854.     1.4054    4.0895   -0.4378 H   0  0  0  0  0
    855. 

  855.     3.0173    3.8594   -1.1289 H   0  0  0  0  0
    856. 

  856.   1  2  1  0  0  0
    857. 

  857.   1  8  1  0  0  0
    858. 

  858.   1  9  1  0  0  0
    859. 

  859.   1 10  1  0  0  0
    860. 

  860.   2  3  1  0  0  0
    861. 

  861.   2 11  1  0  0  0
    862. 

  862.   2 12  1  0  0  0
    863. 

  863.   3  4  1  0  0  0
    864. 

  864.   3  6  1  0  0  0
    865. 

  865.   3 13  1  0  0  0
    866. 

  866.   4  5  1  0  0  0
    867. 

  867.   4 14  1  0  0  0
    868. 

  868.   4 15  1  0  0  0
    869. 

  869.   5 16  1  0  0  0
    870. 

  870.   5 17  1  0  0  0
    871. 

  871.   5 18  1  0  0  0
    872. 

  872.   6  7  1  0  0  0
    873. 

  873.   6 19  1  0  0  0
    874. 

  874.   6 20  1  0  0  0
    875. 

  875.   7 21  1  0  0  0
    876. 

  876.   7 22  1  0  0  0
    877. 

  877.   7 23  1  0  0  0
    878. 

  878. M  END
    879. 

  879. $$$$
    880. 

  880. dan022.hin
    881. 

  881.  OpenBabel0803D
    882. 

  882. 

  883.  23 22  0  0  0  0  0  0  0  0999 V2000
    884. 

  884.     0.0000    0.0000    0.0000 C   0  0  0  0  0
    885. 

  885.     1.5213    0.0000    0.0000 C   0  0  0  0  0
    886. 

  886.     2.1122    1.4360    0.0000 C   0  0  0  0  0
    887. 

  887.     3.6379    1.3448   -0.0771 C   0  0  0  0  0
    888. 

  888.     1.6066    2.2067   -1.2191 C   0  0  0  0  0
    889. 

  889.     1.7108    2.1809    1.2725 C   0  0  0  0  0
    890. 

  890.     2.0370   -0.8008    1.1867 C   0  0  0  0  0
    891. 

  891.    -0.3968   -0.9987   -0.2210 H   0  0  0  0  0
    892. 

  892.    -0.4098    0.3089    0.9715 H   0  0  0  0  0
    893. 

  893.    -0.3939    0.6978   -0.7573 H   0  0  0  0  0
    894. 

  894.     1.8691   -0.4943   -0.9411 H   0  0  0  0  0
    895. 

  895.     4.1083    2.3286    0.0458 H   0  0  0  0  0
    896. 

  896.     4.0304    0.6777    0.7081 H   0  0  0  0  0
    897. 

  897.     3.9681    0.9386   -1.0426 H   0  0  0  0  0
    898. 

  898.     1.9123    3.2596   -1.1792 H   0  0  0  0  0
    899. 

  899.     1.9938    1.7820   -2.1549 H   0  0  0  0  0
    900. 

  900.     0.5058    2.1733   -1.2766 H   0  0  0  0  0
    901. 

  901.     2.2916    3.1028    1.4042 H   0  0  0  0  0
    902. 

  902.     0.6486    2.4600    1.2563 H   0  0  0  0  0
    903. 

  903.     1.8703    1.5456    2.1597 H   0  0  0  0  0
    904. 

  904.     3.1369   -0.8686    1.1637 H   0  0  0  0  0
    905. 

  905.     1.7681   -0.3071    2.1357 H   0  0  0  0  0
    906. 

  906.     1.6283   -1.8174    1.1990 H   0  0  0  0  0
    907. 

  907.   1  2  1  0  0  0
    908. 

  908.   1  8  1  0  0  0
    909. 

  909.   1  9  1  0  0  0
    910. 

  910.   1 10  1  0  0  0
    911. 

  911.   2  3  1  0  0  0
    912. 

  912.   2  7  1  0  0  0
    913. 

  913.   2 11  1  0  0  0
    914. 

  914.   3  4  1  0  0  0
    915. 

  915.   3  5  1  0  0  0
    916. 

  916.   3  6  1  0  0  0
    917. 

  917.   4 12  1  0  0  0
    918. 

  918.   4 13  1  0  0  0
    919. 

  919.   4 14  1  0  0  0
    920. 

  920.   5 15  1  0  0  0
    921. 

  921.   5 16  1  0  0  0
    922. 

  922.   5 17  1  0  0  0
    923. 

  923.   6 18  1  0  0  0
    924. 

  924.   6 19  1  0  0  0
    925. 

  925.   6 20  1  0  0  0
    926. 

  926.   7 21  1  0  0  0
    927. 

  927.   7 22  1  0  0  0
    928. 

  928.   7 23  1  0  0  0
    929. 

  929. M  END
    930. 

  930. $$$$
    931. 

  931. dan023.hin
    932. 

  932.  OpenBabel0803D
    933. 

  933. 

  934.  26 25  0  0  0  0  0  0  0  0999 V2000
    935. 

  935.     0.0000    0.0000    0.0000 C   0  0  0  0  0
    936. 

  936.     1.5120    0.0000    0.0000 C   0  0  0  0  0
    937. 

  937.     2.0692    1.4146    0.0000 C   0  0  0  0  0
    938. 

  938.     3.5892    1.4119    0.0024 C   0  0  0  0  0
    939. 

  939.     4.1448    2.8269    0.0033 C   0  0  0  0  0
    940. 

  940.     5.6648    2.8239    0.0082 C   0  0  0  0  0
    941. 

  941.     6.2225    4.2382    0.0101 C   0  0  0  0  0
    942. 

  942.     7.7345    4.2372    0.0168 C   0  0  0  0  0
    943. 

  943.    -0.3985   -1.0225    0.0008 H   0  0  0  0  0
    944. 

  944.    -0.4052    0.5109    0.8836 H   0  0  0  0  0
    945. 

  945.    -0.4050    0.5094   -0.8846 H   0  0  0  0  0
    946. 

  946.     1.8904   -0.5539    0.8822 H   0  0  0  0  0
    947. 

  947.     1.8903   -0.5537   -0.8823 H   0  0  0  0  0
    948. 

  948.     1.6924    1.9682   -0.8836 H   0  0  0  0  0
    949. 

  949.     1.6894    1.9696    0.8814 H   0  0  0  0  0
    950. 

  950.     3.9653    0.8569    0.8855 H   0  0  0  0  0
    951. 

  951.     3.9680    0.8572   -0.8797 H   0  0  0  0  0
    952. 

  952.     3.7702    3.3810   -0.8810 H   0  0  0  0  0
    953. 

  953.     3.7643    3.3823    0.8843 H   0  0  0  0  0
    954. 

  954.     6.0400    2.2691    0.8918 H   0  0  0  0  0
    955. 

  955.     6.0455    2.2694   -0.8732 H   0  0  0  0  0
    956. 

  956.     5.8484    4.7916   -0.8742 H   0  0  0  0  0
    957. 

  957.     5.8403    4.7926    0.8903 H   0  0  0  0  0
    958. 

  958.     8.1339    5.2594    0.0194 H   0  0  0  0  0
    959. 

  959.     8.1353    3.7258    0.9022 H   0  0  0  0  0
    960. 

  960.     8.1429    3.7274   -0.8660 H   0  0  0  0  0
    961. 

  961.   1  2  1  0  0  0
    962. 

  962.   1  9  1  0  0  0
    963. 

  963.   1 10  1  0  0  0
    964. 

  964.   1 11  1  0  0  0
    965. 

  965.   2  3  1  0  0  0
    966. 

  966.   2 12  1  0  0  0
    967. 

  967.   2 13  1  0  0  0
    968. 

  968.   3  4  1  0  0  0
    969. 

  969.   3 14  1  0  0  0
    970. 

  970.   3 15  1  0  0  0
    971. 

  971.   4  5  1  0  0  0
    972. 

  972.   4 16  1  0  0  0
    973. 

  973.   4 17  1  0  0  0
    974. 

  974.   5  6  1  0  0  0
    975. 

  975.   5 18  1  0  0  0
    976. 

  976.   5 19  1  0  0  0
    977. 

  977.   6  7  1  0  0  0
    978. 

  978.   6 20  1  0  0  0
    979. 

  979.   6 21  1  0  0  0
    980. 

  980.   7  8  1  0  0  0
    981. 

  981.   7 22  1  0  0  0
    982. 

  982.   7 23  1  0  0  0
    983. 

  983.   8 24  1  0  0  0
    984. 

  984.   8 25  1  0  0  0
    985. 

  985.   8 26  1  0  0  0
    986. 

  986. M  END
    987. 

  987. $$$$
    988. 

  988. dan024.hin
    989. 

  989.  OpenBabel0803D
    990. 

  990. 

  991.  26 25  0  0  0  0  0  0  0  0999 V2000
    992. 

  992.     0.0000    0.0000    0.0000 C   0  0  0  0  0
    993. 

  993.     1.5120    0.0000    0.0000 C   0  0  0  0  0
    994. 

  994.     2.0690    1.4146    0.0000 C   0  0  0  0  0
    995. 

  995.     3.5878    1.4117    0.0082 C   0  0  0  0  0
    996. 

  996.     4.1500    2.8248   -0.0085 C   0  0  0  0  0
    997. 

  997.     5.6668    2.8253    0.1906 C   0  0  0  0  0
    998. 

  998.     6.2288    4.2205   -0.0220 C   0  0  0  0  0
    999. 

  999.     6.0239    2.3128    1.5769 C   0  0  0  0  0
    1000. 

  1000.    -0.3986   -1.0225    0.0013 H   0  0  0  0  0
    1001. 

  1001.    -0.4053    0.5114    0.8833 H   0  0  0  0  0
    1002. 

  1002.    -0.4049    0.5089   -0.8849 H   0  0  0  0  0
    1003. 

  1003.     1.8907   -0.5534    0.8823 H   0  0  0  0  0
    1004. 

  1004.     1.8902   -0.5540   -0.8821 H   0  0  0  0  0
    1005. 

  1005.     1.6972    1.9674   -0.8861 H   0  0  0  0  0
    1006. 

  1006.     1.6851    1.9708    0.8790 H   0  0  0  0  0
    1007. 

  1007.     3.9739    0.8791    0.9081 H   0  0  0  0  0
    1008. 

  1008.     3.9720    0.8403   -0.8604 H   0  0  0  0  0
    1009. 

  1009.     3.8965    3.3213   -0.9663 H   0  0  0  0  0
    1010. 

  1010.     3.6696    3.4365    0.7820 H   0  0  0  0  0
    1011. 

  1011.     6.1200    2.1405   -0.5680 H   0  0  0  0  0
    1012. 

  1012.     7.3163    4.2368    0.1270 H   0  0  0  0  0
    1013. 

  1013.     6.0288    4.5838   -1.0385 H   0  0  0  0  0
    1014. 

  1014.     5.7904    4.9446    0.6780 H   0  0  0  0  0
    1015. 

  1015.     7.1032    2.1491    1.6816 H   0  0  0  0  0
    1016. 

  1016.     5.7176    3.0171    2.3618 H   0  0  0  0  0
    1017. 

  1017.     5.5114    1.3563    1.7745 H   0  0  0  0  0
    1018. 

  1018.   1  2  1  0  0  0
    1019. 

  1019.   1  9  1  0  0  0
    1020. 

  1020.   1 10  1  0  0  0
    1021. 

  1021.   1 11  1  0  0  0
    1022. 

  1022.   2  3  1  0  0  0
    1023. 

  1023.   2 12  1  0  0  0
    1024. 

  1024.   2 13  1  0  0  0
    1025. 

  1025.   3  4  1  0  0  0
    1026. 

  1026.   3 14  1  0  0  0
    1027. 

  1027.   3 15  1  0  0  0
    1028. 

  1028.   4  5  1  0  0  0
    1029. 

  1029.   4 16  1  0  0  0
    1030. 

  1030.   4 17  1  0  0  0
    1031. 

  1031.   5  6  1  0  0  0
    1032. 

  1032.   5 18  1  0  0  0
    1033. 

  1033.   5 19  1  0  0  0
    1034. 

  1034.   6  7  1  0  0  0
    1035. 

  1035.   6  8  1  0  0  0
    1036. 

  1036.   6 20  1  0  0  0
    1037. 

  1037.   7 21  1  0  0  0
    1038. 

  1038.   7 22  1  0  0  0
    1039. 

  1039.   7 23  1  0  0  0
    1040. 

  1040.   8 24  1  0  0  0
    1041. 

  1041.   8 25  1  0  0  0
    1042. 

  1042.   8 26  1  0  0  0
    1043. 

  1043. M  END
    1044. 

  1044. $$$$
    1045. 

  1045. dan025.hin
    1046. 

  1046.  OpenBabel0803D
    1047. 

  1047. 

  1048.  26 25  0  0  0  0  0  0  0  0999 V2000
    1049. 

  1049.     0.0000    0.0000    0.0000 C   0  0  0  0  0
    1050. 

  1050.     1.5120    0.0000    0.0000 C   0  0  0  0  0
    1051. 

  1051.     2.0681    1.4137    0.0000 C   0  0  0  0  0
    1052. 

  1052.     3.5889    1.4178    0.0197 C   0  0  0  0  0
    1053. 

  1053.     4.1486    2.8317   -0.1602 C   0  0  0  0  0
    1054. 

  1054.     5.6608    2.8302    0.0709 C   0  0  0  0  0
    1055. 

  1055.     6.2227    4.2238    0.2430 C   0  0  0  0  0
    1056. 

  1056.     3.7996    3.3598   -1.5433 C   0  0  0  0  0
    1057. 

  1057.    -0.3986   -1.0224   -0.0010 H   0  0  0  0  0
    1058. 

  1058.    -0.4055    0.5095    0.8843 H   0  0  0  0  0
    1059. 

  1059.    -0.4045    0.5110   -0.8838 H   0  0  0  0  0
    1060. 

  1060.     1.8913   -0.5526    0.8826 H   0  0  0  0  0
    1061. 

  1061.     1.8899   -0.5545   -0.8820 H   0  0  0  0  0
    1062. 

  1062.     1.7142    1.9721   -0.8972 H   0  0  0  0  0
    1063. 

  1063.     1.6756    1.9759    0.8709 H   0  0  0  0  0
    1064. 

  1064.     3.9513    0.9838    0.9733 H   0  0  0  0  0
    1065. 

  1065.     3.9831    0.7569   -0.7787 H   0  0  0  0  0
    1066. 

  1066.     3.6746    3.4958    0.6048 H   0  0  0  0  0
    1067. 

  1067.     5.8963    2.2283    0.9720 H   0  0  0  0  0
    1068. 

  1068.     6.1685    2.3165   -0.7700 H   0  0  0  0  0
    1069. 

  1069.     7.3032    4.1941    0.4332 H   0  0  0  0  0
    1070. 

  1070.     6.0655    4.8415   -0.6518 H   0  0  0  0  0
    1071. 

  1071.     5.7552    4.7488    1.0868 H   0  0  0  0  0
    1072. 

  1072.     4.0330    4.4274   -1.6428 H   0  0  0  0  0
    1073. 

  1073.     4.3449    2.8266   -2.3334 H   0  0  0  0  0
    1074. 

  1074.     2.7223    3.2282   -1.7412 H   0  0  0  0  0
    1075. 

  1075.   1  2  1  0  0  0
    1076. 

  1076.   1  9  1  0  0  0
    1077. 

  1077.   1 10  1  0  0  0
    1078. 

  1078.   1 11  1  0  0  0
    1079. 

  1079.   2  3  1  0  0  0
    1080. 

  1080.   2 12  1  0  0  0
    1081. 

  1081.   2 13  1  0  0  0
    1082. 

  1082.   3  4  1  0  0  0
    1083. 

  1083.   3 14  1  0  0  0
    1084. 

  1084.   3 15  1  0  0  0
    1085. 

  1085.   4  5  1  0  0  0
    1086. 

  1086.   4 16  1  0  0  0
    1087. 

  1087.   4 17  1  0  0  0
    1088. 

  1088.   5  6  1  0  0  0
    1089. 

  1089.   5  8  1  0  0  0
    1090. 

  1090.   5 18  1  0  0  0
    1091. 

  1091.   6  7  1  0  0  0
    1092. 

  1092.   6 19  1  0  0  0
    1093. 

  1093.   6 20  1  0  0  0
    1094. 

  1094.   7 21  1  0  0  0
    1095. 

  1095.   7 22  1  0  0  0
    1096. 

  1096.   7 23  1  0  0  0
    1097. 

  1097.   8 24  1  0  0  0
    1098. 

  1098.   8 25  1  0  0  0
    1099. 

  1099.   8 26  1  0  0  0
    1100. 

  1100. M  END
    1101. 

  1101. $$$$
    1102. 

  1102. dan026.hin
    1103. 

  1103.  OpenBabel0803D
    1104. 

  1104. 

  1105.  26 25  0  0  0  0  0  0  0  0999 V2000
    1106. 

  1106.     0.0000    0.0000    0.0000 C   0  0  0  0  0
    1107. 

  1107.     1.5109    0.0000    0.0000 C   0  0  0  0  0
    1108. 

  1108.     2.0737    1.4134    0.0000 C   0  0  0  0  0
    1109. 

  1109.     3.5942    1.4137    0.1808 C   0  0  0  0  0
    1110. 

  1110.     4.1458    2.8243   -0.0306 C   0  0  0  0  0
    1111. 

  1111.     5.6570    2.8361   -0.2011 C   0  0  0  0  0
    1112. 

  1112.     6.1765    4.2396   -0.4179 C   0  0  0  0  0
    1113. 

  1113.     3.9567    0.8768    1.5573 C   0  0  0  0  0
    1114. 

  1114.    -0.3981   -1.0226   -0.0078 H   0  0  0  0  0
    1115. 

  1115.    -0.4062    0.5035    0.8875 H   0  0  0  0  0
    1116. 

  1116.    -0.4038    0.5167   -0.8808 H   0  0  0  0  0
    1117. 

  1117.     1.9022   -0.5449    0.8894 H   0  0  0  0  0
    1118. 

  1118.     1.8913   -0.5576   -0.8785 H   0  0  0  0  0
    1119. 

  1119.     1.8030    1.9221   -0.9470 H   0  0  0  0  0
    1120. 

  1120.     1.6018    2.0111    0.8060 H   0  0  0  0  0
    1121. 

  1121.     4.0380    0.7390   -0.5930 H   0  0  0  0  0
    1122. 

  1122.     3.6749    3.2780   -0.9268 H   0  0  0  0  0
    1123. 

  1123.     3.8547    3.4751    0.8188 H   0  0  0  0  0
    1124. 

  1124.     6.1424    2.3867    0.6888 H   0  0  0  0  0
    1125. 

  1125.     5.9459    2.1901   -1.0541 H   0  0  0  0  0
    1126. 

  1126.     7.2673    4.2464   -0.5381 H   0  0  0  0  0
    1127. 

  1127.     5.7445    4.6972   -1.3179 H   0  0  0  0  0
    1128. 

  1128.     5.9354    4.8962    0.4287 H   0  0  0  0  0
    1129. 

  1129.     5.0358    0.7033    1.6559 H   0  0  0  0  0
    1130. 

  1130.     3.6582    1.5684    2.3564 H   0  0  0  0  0
    1131. 

  1131.     3.4407   -0.0808    1.7413 H   0  0  0  0  0
    1132. 

  1132.   1  2  1  0  0  0
    1133. 

  1133.   1  9  1  0  0  0
    1134. 

  1134.   1 10  1  0  0  0
    1135. 

  1135.   1 11  1  0  0  0
    1136. 

  1136.   2  3  1  0  0  0
    1137. 

  1137.   2 12  1  0  0  0
    1138. 

  1138.   2 13  1  0  0  0
    1139. 

  1139.   3  4  1  0  0  0
    1140. 

  1140.   3 14  1  0  0  0
    1141. 

  1141.   3 15  1  0  0  0
    1142. 

  1142.   4  5  1  0  0  0
    1143. 

  1143.   4  8  1  0  0  0
    1144. 

  1144.   4 16  1  0  0  0
    1145. 

  1145.   5  6  1  0  0  0
    1146. 

  1146.   5 17  1  0  0  0
    1147. 

  1147.   5 18  1  0  0  0
    1148. 

  1148.   6  7  1  0  0  0
    1149. 

  1149.   6 19  1  0  0  0
    1150. 

  1150.   6 20  1  0  0  0
    1151. 

  1151.   7 21  1  0  0  0
    1152. 

  1152.   7 22  1  0  0  0
    1153. 

  1153.   7 23  1  0  0  0
    1154. 

  1154.   8 24  1  0  0  0
    1155. 

  1155.   8 25  1  0  0  0
    1156. 

  1156.   8 26  1  0  0  0
    1157. 

  1157. M  END
    1158. 

  1158. $$$$
    1159. 

  1159. dan027.hin
    1160. 

  1160.  OpenBabel0803D
    1161. 

  1161. 

  1162.  26 25  0  0  0  0  0  0  0  0999 V2000
    1163. 

  1163.     0.0000    0.0000    0.0000 C   0  0  0  0  0
    1164. 

  1164.     1.5120    0.0000    0.0000 C   0  0  0  0  0
    1165. 

  1165.     2.0672    1.4125    0.0000 C   0  0  0  0  0
    1166. 

  1166.     3.5884    1.4219   -0.0048 C   0  0  0  0  0
    1167. 

  1167.     4.1624    2.8501   -0.0021 C   0  0  0  0  0
    1168. 

  1168.     5.6881    2.7764   -0.0077 C   0  0  0  0  0
    1169. 

  1169.     3.6908    3.5959   -1.2492 C   0  0  0  0  0
    1170. 

  1170.     3.6997    3.5877    1.2532 C   0  0  0  0  0
    1171. 

  1171.    -0.3987   -1.0224    0.0031 H   0  0  0  0  0
    1172. 

  1172.    -0.4050    0.5131    0.8824 H   0  0  0  0  0
    1173. 

  1173.    -0.4048    0.5076   -0.8857 H   0  0  0  0  0
    1174. 

  1174.     1.8911   -0.5533    0.8822 H   0  0  0  0  0
    1175. 

  1175.     1.8907   -0.5531   -0.8825 H   0  0  0  0  0
    1176. 

  1176.     1.6962    1.9845   -0.8810 H   0  0  0  0  0
    1177. 

  1177.     1.7015    1.9822    0.8848 H   0  0  0  0  0
    1178. 

  1178.     3.9722    0.8696    0.8765 H   0  0  0  0  0
    1179. 

  1179.     3.9664    0.8757   -0.8923 H   0  0  0  0  0
    1180. 

  1180.     6.1316    3.7807   -0.0037 H   0  0  0  0  0
    1181. 

  1181.     6.0689    2.2427    0.8733 H   0  0  0  0  0
    1182. 

  1182.     6.0627    2.2527   -0.8974 H   0  0  0  0  0
    1183. 

  1183.     3.9543    4.6602   -1.2102 H   0  0  0  0  0
    1184. 

  1184.     4.1389    3.1756   -2.1593 H   0  0  0  0  0
    1185. 

  1185.     2.5963    3.5172   -1.3575 H   0  0  0  0  0
    1186. 

  1186.     3.9634    4.6521    1.2197 H   0  0  0  0  0
    1187. 

  1187.     2.6059    3.5086    1.3685 H   0  0  0  0  0
    1188. 

  1188.     4.1540    3.1608    2.1572 H   0  0  0  0  0
    1189. 

  1189.   1  2  1  0  0  0
    1190. 

  1190.   1  9  1  0  0  0
    1191. 

  1191.   1 10  1  0  0  0
    1192. 

  1192.   1 11  1  0  0  0
    1193. 

  1193.   2  3  1  0  0  0
    1194. 

  1194.   2 12  1  0  0  0
    1195. 

  1195.   2 13  1  0  0  0
    1196. 

  1196.   3  4  1  0  0  0
    1197. 

  1197.   3 14  1  0  0  0
    1198. 

  1198.   3 15  1  0  0  0
    1199. 

  1199.   4  5  1  0  0  0
    1200. 

  1200.   4 16  1  0  0  0
    1201. 

  1201.   4 17  1  0  0  0
    1202. 

  1202.   5  6  1  0  0  0
    1203. 

  1203.   5  7  1  0  0  0
    1204. 

  1204.   5  8  1  0  0  0
    1205. 

  1205.   6 18  1  0  0  0
    1206. 

  1206.   6 19  1  0  0  0
    1207. 

  1207.   6 20  1  0  0  0
    1208. 

  1208.   7 21  1  0  0  0
    1209. 

  1209.   7 22  1  0  0  0
    1210. 

  1210.   7 23  1  0  0  0
    1211. 

  1211.   8 24  1  0  0  0
    1212. 

  1212.   8 25  1  0  0  0
    1213. 

  1213.   8 26  1  0  0  0
    1214. 

  1214. M  END
    1215. 

  1215. $$$$
    1216. 

  1216. dan028.hin
    1217. 

  1217.  OpenBabel0803D
    1218. 

  1218. 

  1219.  26 25  0  0  0  0  0  0  0  0999 V2000
    1220. 

  1220.     0.0000    0.0000    0.0000 C   0  0  0  0  0
    1221. 

  1221.     1.5109    0.0000    0.0000 C   0  0  0  0  0
    1222. 

  1222.     2.0734    1.4124    0.0000 C   0  0  0  0  0
    1223. 

  1223.     3.5984    1.4124    0.1557 C   0  0  0  0  0
    1224. 

  1224.     4.1666    2.8176   -0.1201 C   0  0  0  0  0
    1225. 

  1225.     5.6662    2.8794    0.1257 C   0  0  0  0  0
    1226. 

  1226.     3.8766    3.2414   -1.5535 C   0  0  0  0  0
    1227. 

  1227.     3.9622    0.9154    1.5472 C   0  0  0  0  0
    1228. 

  1228.    -0.3981   -1.0226   -0.0049 H   0  0  0  0  0
    1229. 

  1229.    -0.4063    0.5060    0.8860 H   0  0  0  0  0
    1230. 

  1230.    -0.4037    0.5143   -0.8823 H   0  0  0  0  0
    1231. 

  1231.     1.9024   -0.5419    0.8912 H   0  0  0  0  0
    1232. 

  1232.     1.8913   -0.5589   -0.8777 H   0  0  0  0  0
    1233. 

  1233.     1.7951    1.9361   -0.9421 H   0  0  0  0  0
    1234. 

  1234.     1.6137    2.0053    0.8165 H   0  0  0  0  0
    1235. 

  1235.     4.0326    0.7095   -0.5983 H   0  0  0  0  0
    1236. 

  1236.     3.6630    3.5357    0.5734 H   0  0  0  0  0
    1237. 

  1237.     6.0749    3.8539   -0.1732 H   0  0  0  0  0
    1238. 

  1238.     5.9114    2.7349    1.1864 H   0  0  0  0  0
    1239. 

  1239.     6.2018    2.1085   -0.4445 H   0  0  0  0  0
    1240. 

  1240.     4.1519    4.2896   -1.7248 H   0  0  0  0  0
    1241. 

  1241.     4.4335    2.6306   -2.2764 H   0  0  0  0  0
    1242. 

  1242.     2.8051    3.1321   -1.7885 H   0  0  0  0  0
    1243. 

  1243.     5.0283    0.6682    1.6295 H   0  0  0  0  0
    1244. 

  1244.     3.7329    1.6611    2.3198 H   0  0  0  0  0
    1245. 

  1245.     3.3886    0.0032    1.7854 H   0  0  0  0  0
    1246. 

  1246.   1  2  1  0  0  0
    1247. 

  1247.   1  9  1  0  0  0
    1248. 

  1248.   1 10  1  0  0  0
    1249. 

  1249.   1 11  1  0  0  0
    1250. 

  1250.   2  3  1  0  0  0
    1251. 

  1251.   2 12  1  0  0  0
    1252. 

  1252.   2 13  1  0  0  0
    1253. 

  1253.   3  4  1  0  0  0
    1254. 

  1254.   3 14  1  0  0  0
    1255. 

  1255.   3 15  1  0  0  0
    1256. 

  1256.   4  5  1  0  0  0
    1257. 

  1257.   4  8  1  0  0  0
    1258. 

  1258.   4 16  1  0  0  0
    1259. 

  1259.   5  6  1  0  0  0
    1260. 

  1260.   5  7  1  0  0  0
    1261. 

  1261.   5 17  1  0  0  0
    1262. 

  1262.   6 18  1  0  0  0
    1263. 

  1263.   6 19  1  0  0  0
    1264. 

  1264.   6 20  1  0  0  0
    1265. 

  1265.   7 21  1  0  0  0
    1266. 

  1266.   7 22  1  0  0  0
    1267. 

  1267.   7 23  1  0  0  0
    1268. 

  1268.   8 24  1  0  0  0
    1269. 

  1269.   8 25  1  0  0  0
    1270. 

  1270.   8 26  1  0  0  0
    1271. 

  1271. M  END
    1272. 

  1272. $$$$
    1273. 

  1273. dan029.hin
    1274. 

  1274.  OpenBabel0803D
    1275. 

  1275. 

  1276.  26 25  0  0  0  0  0  0  0  0999 V2000
    1277. 

  1277.     0.0000    0.0000    0.0000 C   0  0  0  0  0
    1278. 

  1278.     1.5133    0.0000    0.0000 C   0  0  0  0  0
    1279. 

  1279.     2.0766    1.4245    0.0000 C   0  0  0  0  0
    1280. 

  1280.     3.5993    1.4099    0.1882 C   0  0  0  0  0
    1281. 

  1281.     4.0852    2.3729    1.2745 C   0  0  0  0  0
    1282. 

  1282.     5.5432    2.0882    1.6032 C   0  0  0  0  0
    1283. 

  1283.     3.9242    3.8240    0.8520 C   0  0  0  0  0
    1284. 

  1284.     1.6904    2.1346   -1.2893 C   0  0  0  0  0
    1285. 

  1285.    -0.4036   -1.0068   -0.1603 H   0  0  0  0  0
    1286. 

  1286.    -0.4067    0.3725    0.9492 H   0  0  0  0  0
    1287. 

  1287.    -0.3885    0.6533   -0.7997 H   0  0  0  0  0
    1288. 

  1288.     1.8876   -0.5539    0.8838 H   0  0  0  0  0
    1289. 

  1289.     1.8939   -0.5510   -0.8830 H   0  0  0  0  0
    1290. 

  1290.     1.6057    1.9733    0.8542 H   0  0  0  0  0
    1291. 

  1291.     3.9373    0.3857    0.4508 H   0  0  0  0  0
    1292. 

  1292.     4.1105    1.6452   -0.7678 H   0  0  0  0  0
    1293. 

  1293.     3.4783    2.2033    2.1982 H   0  0  0  0  0
    1294. 

  1294.     5.9156    2.7661    2.3825 H   0  0  0  0  0
    1295. 

  1295.     5.6823    1.0618    1.9673 H   0  0  0  0  0
    1296. 

  1296.     6.1875    2.2149    0.7227 H   0  0  0  0  0
    1297. 

  1297.     4.2947    4.5079    1.6268 H   0  0  0  0  0
    1298. 

  1298.     4.4785    4.0405   -0.0714 H   0  0  0  0  0
    1299. 

  1299.     2.8705    4.0748    0.6680 H   0  0  0  0  0
    1300. 

  1300.     1.9572    3.1988   -1.2591 H   0  0  0  0  0
    1301. 

  1301.     2.1853    1.6934   -2.1650 H   0  0  0  0  0
    1302. 

  1302.     0.6029    2.0574   -1.4564 H   0  0  0  0  0
    1303. 

  1303.   1  2  1  0  0  0
    1304. 

  1304.   1  9  1  0  0  0
    1305. 

  1305.   1 10  1  0  0  0
    1306. 

  1306.   1 11  1  0  0  0
    1307. 

  1307.   2  3  1  0  0  0
    1308. 

  1308.   2 12  1  0  0  0
    1309. 

  1309.   2 13  1  0  0  0
    1310. 

  1310.   3  4  1  0  0  0
    1311. 

  1311.   3  8  1  0  0  0
    1312. 

  1312.   3 14  1  0  0  0
    1313. 

  1313.   4  5  1  0  0  0
    1314. 

  1314.   4 15  1  0  0  0
    1315. 

  1315.   4 16  1  0  0  0
    1316. 

  1316.   5  6  1  0  0  0
    1317. 

  1317.   5  7  1  0  0  0
    1318. 

  1318.   5 17  1  0  0  0
    1319. 

  1319.   6 18  1  0  0  0
    1320. 

  1320.   6 19  1  0  0  0
    1321. 

  1321.   6 20  1  0  0  0
    1322. 

  1322.   7 21  1  0  0  0
    1323. 

  1323.   7 22  1  0  0  0
    1324. 

  1324.   7 23  1  0  0  0
    1325. 

  1325.   8 24  1  0  0  0
    1326. 

  1326.   8 25  1  0  0  0
    1327. 

  1327.   8 26  1  0  0  0
    1328. 

  1328. M  END
    1329. 

  1329. $$$$
    1330. 

  1330. dan030.hin
    1331. 

  1331.  OpenBabel0803D
    1332. 

  1332. 

  1333.  26 25  0  0  0  0  0  0  0  0999 V2000
    1334. 

  1334.     0.0000    0.0000    0.0000 C   0  0  0  0  0
    1335. 

  1335.     1.5209    0.0000    0.0000 C   0  0  0  0  0
    1336. 

  1336.     2.0441    1.4361    0.0000 C   0  0  0  0  0
    1337. 

  1337.     3.5168    1.5258   -0.3707 C   0  0  0  0  0
    1338. 

  1338.     3.9574    2.9794   -0.5549 C   0  0  0  0  0
    1339. 

  1339.     5.4648    3.0584   -0.7260 C   0  0  0  0  0
    1340. 

  1340.     3.2532    3.6049   -1.7485 C   0  0  0  0  0
    1341. 

  1341.     2.0407   -0.7780    1.1981 C   0  0  0  0  0
    1342. 

  1342.    -0.3982   -1.0231    0.0081 H   0  0  0  0  0
    1343. 

  1343.    -0.4037    0.5165    0.8812 H   0  0  0  0  0
    1344. 

  1344.    -0.4030    0.5028   -0.8889 H   0  0  0  0  0
    1345. 

  1345.     1.8725   -0.5074   -0.9321 H   0  0  0  0  0
    1346. 

  1346.     1.4623    2.0537   -0.7236 H   0  0  0  0  0
    1347. 

  1347.     1.8714    1.9008    0.9915 H   0  0  0  0  0
    1348. 

  1348.     4.1374    1.0432    0.4114 H   0  0  0  0  0
    1349. 

  1349.     3.7135    0.9562   -1.3019 H   0  0  0  0  0
    1350. 

  1350.     3.6739    3.5508    0.3633 H   0  0  0  0  0
    1351. 

  1351.     5.7944    4.0963   -0.8642 H   0  0  0  0  0
    1352. 

  1352.     5.9907    2.6584    0.1508 H   0  0  0  0  0
    1353. 

  1353.     5.8033    2.4870   -1.6009 H   0  0  0  0  0
    1354. 

  1354.     3.4286    4.6863   -1.7999 H   0  0  0  0  0
    1355. 

  1355.     3.5946    3.1682   -2.6964 H   0  0  0  0  0
    1356. 

  1356.     2.1651    3.4370   -1.6817 H   0  0  0  0  0
    1357. 

  1357.     3.1386   -0.8079    1.2126 H   0  0  0  0  0
    1358. 

  1358.     1.7121   -0.3295    2.1455 H   0  0  0  0  0
    1359. 

  1359.     1.6829   -1.8157    1.1846 H   0  0  0  0  0
    1360. 

  1360.   1  2  1  0  0  0
    1361. 

  1361.   1  9  1  0  0  0
    1362. 

  1362.   1 10  1  0  0  0
    1363. 

  1363.   1 11  1  0  0  0
    1364. 

  1364.   2  3  1  0  0  0
    1365. 

  1365.   2  8  1  0  0  0
    1366. 

  1366.   2 12  1  0  0  0
    1367. 

  1367.   3  4  1  0  0  0
    1368. 

  1368.   3 13  1  0  0  0
    1369. 

  1369.   3 14  1  0  0  0
    1370. 

  1370.   4  5  1  0  0  0
    1371. 

  1371.   4 15  1  0  0  0
    1372. 

  1372.   4 16  1  0  0  0
    1373. 

  1373.   5  6  1  0  0  0
    1374. 

  1374.   5  7  1  0  0  0
    1375. 

  1375.   5 17  1  0  0  0
    1376. 

  1376.   6 18  1  0  0  0
    1377. 

  1377.   6 19  1  0  0  0
    1378. 

  1378.   6 20  1  0  0  0
    1379. 

  1379.   7 21  1  0  0  0
    1380. 

  1380.   7 22  1  0  0  0
    1381. 

  1381.   7 23  1  0  0  0
    1382. 

  1382.   8 24  1  0  0  0
    1383. 

  1383.   8 25  1  0  0  0
    1384. 

  1384.   8 26  1  0  0  0
    1385. 

  1385. M  END
    1386. 

  1386. $$$$
    1387. 

  1387. dan031.hin
    1388. 

  1388.  OpenBabel0803D
    1389. 

  1389. 

  1390.  26 25  0  0  0  0  0  0  0  0999 V2000
    1391. 

  1391.     0.0000    0.0000    0.0000 C   0  0  0  0  0
    1392. 

  1392.     1.5096    0.0000    0.0000 C   0  0  0  0  0
    1393. 

  1393.     2.0757    1.4124    0.0000 C   0  0  0  0  0
    1394. 

  1394.     3.6192    1.4365   -0.0016 C   0  0  0  0  0
    1395. 

  1395.     4.0644    2.9112    0.0009 C   0  0  0  0  0
    1396. 

  1396.     5.5627    3.1155   -0.0070 C   0  0  0  0  0
    1397. 

  1397.     4.1333    0.7244    1.2487 C   0  0  0  0  0
    1398. 

  1398.     4.1304    0.7291   -1.2558 C   0  0  0  0  0
    1399. 

  1399.    -0.3973   -1.0229    0.0031 H   0  0  0  0  0
    1400. 

  1400.    -0.4051    0.5127    0.8826 H   0  0  0  0  0
    1401. 

  1401.    -0.4048    0.5073   -0.8859 H   0  0  0  0  0
    1402. 

  1402.     1.9061   -0.5510    0.8827 H   0  0  0  0  0
    1403. 

  1403.     1.9057   -0.5504   -0.8833 H   0  0  0  0  0
    1404. 

  1404.     1.6977    1.9645   -0.8841 H   0  0  0  0  0
    1405. 

  1405.     1.6993    1.9642    0.8850 H   0  0  0  0  0
    1406. 

  1406.     3.6219    3.4224   -0.8784 H   0  0  0  0  0
    1407. 

  1407.     3.6315    3.4162    0.8886 H   0  0  0  0  0
    1408. 

  1408.     5.8116    4.1847    0.0049 H   0  0  0  0  0
    1409. 

  1409.     6.0438    2.6583    0.8684 H   0  0  0  0  0
    1410. 

  1410.     6.0310    2.6812   -0.9008 H   0  0  0  0  0
    1411. 

  1411.     5.2143    0.5390    1.2017 H   0  0  0  0  0
    1412. 

  1412.     3.9365    1.3144    2.1537 H   0  0  0  0  0
    1413. 

  1413.     3.6303   -0.2488    1.3759 H   0  0  0  0  0
    1414. 

  1414.     5.2108    0.5402   -1.2101 H   0  0  0  0  0
    1415. 

  1415.     3.6244   -0.2421   -1.3873 H   0  0  0  0  0
    1416. 

  1416.     3.9351    1.3239   -2.1578 H   0  0  0  0  0
    1417. 

  1417.   1  2  1  0  0  0
    1418. 

  1418.   1  9  1  0  0  0
    1419. 

  1419.   1 10  1  0  0  0
    1420. 

  1420.   1 11  1  0  0  0
    1421. 

  1421.   2  3  1  0  0  0
    1422. 

  1422.   2 12  1  0  0  0
    1423. 

  1423.   2 13  1  0  0  0
    1424. 

  1424.   3  4  1  0  0  0
    1425. 

  1425.   3 14  1  0  0  0
    1426. 

  1426.   3 15  1  0  0  0
    1427. 

  1427.   4  5  1  0  0  0
    1428. 

  1428.   4  7  1  0  0  0
    1429. 

  1429.   4  8  1  0  0  0
    1430. 

  1430.   5  6  1  0  0  0
    1431. 

  1431.   5 16  1  0  0  0
    1432. 

  1432.   5 17  1  0  0  0
    1433. 

  1433.   6 18  1  0  0  0
    1434. 

  1434.   6 19  1  0  0  0
    1435. 

  1435.   6 20  1  0  0  0
    1436. 

  1436.   7 21  1  0  0  0
    1437. 

  1437.   7 22  1  0  0  0
    1438. 

  1438.   7 23  1  0  0  0
    1439. 

  1439.   8 24  1  0  0  0
    1440. 

  1440.   8 25  1  0  0  0
    1441. 

  1441.   8 26  1  0  0  0
    1442. 

  1442. M  END
    1443. 

  1443. $$$$
    1444. 

  1444. dan032.hin
    1445. 

  1445.  OpenBabel0803D
    1446. 

  1446. 

  1447.  26 25  0  0  0  0  0  0  0  0999 V2000
    1448. 

  1448.     0.0000    0.0000    0.0000 C   0  0  0  0  0
    1449. 

  1449.     1.5119    0.0000    0.0000 C   0  0  0  0  0
    1450. 

  1450.     2.0703    1.4251    0.0000 C   0  0  0  0  0
    1451. 

  1451.     3.5834    1.4592    0.2793 C   0  0  0  0  0
    1452. 

  1452.     4.3866    0.7042   -0.7825 C   0  0  0  0  0
    1453. 

  1453.     5.8680    0.9767   -0.6506 C   0  0  0  0  0
    1454. 

  1454.     3.8881    0.9084    1.6638 C   0  0  0  0  0
    1455. 

  1455.     1.7495    2.1186   -1.3151 C   0  0  0  0  0
    1456. 

  1456.    -0.3816    0.6362   -0.8167 H   0  0  0  0  0
    1457. 

  1457.    -0.4093    0.3933    0.9395 H   0  0  0  0  0
    1458. 

  1458.    -0.4040   -1.0096   -0.1400 H   0  0  0  0  0
    1459. 

  1459.     1.8889   -0.5536   -0.8834 H   0  0  0  0  0
    1460. 

  1460.     1.9098   -0.5421    0.8874 H   0  0  0  0  0
    1461. 

  1461.     1.5690    1.9860    0.8285 H   0  0  0  0  0
    1462. 

  1462.     3.9010    2.5317    0.2462 H   0  0  0  0  0
    1463. 

  1463.     4.0163    0.9986   -1.7904 H   0  0  0  0  0
    1464. 

  1464.     4.1945   -0.3844   -0.6987 H   0  0  0  0  0
    1465. 

  1465.     6.1991    0.7931    0.3859 H   0  0  0  0  0
    1466. 

  1466.     6.1157    2.0181   -0.8936 H   0  0  0  0  0
    1467. 

  1467.     6.4578    0.3328   -1.3137 H   0  0  0  0  0
    1468. 

  1468.     3.3925   -0.0649    1.8171 H   0  0  0  0  0
    1469. 

  1469.     3.5425    1.5834    2.4558 H   0  0  0  0  0
    1470. 

  1470.     4.9738    0.7621    1.7869 H   0  0  0  0  0
    1471. 

  1471.     0.7013    1.9317   -1.6005 H   0  0  0  0  0
    1472. 

  1472.     2.3965    1.7429   -2.1255 H   0  0  0  0  0
    1473. 

  1473.     1.8974    3.2032   -1.2502 H   0  0  0  0  0
    1474. 

  1474.   1  2  1  0  0  0
    1475. 

  1475.   1  9  1  0  0  0
    1476. 

  1476.   1 10  1  0  0  0
    1477. 

  1477.   1 11  1  0  0  0
    1478. 

  1478.   2  3  1  0  0  0
    1479. 

  1479.   2 12  1  0  0  0
    1480. 

  1480.   2 13  1  0  0  0
    1481. 

  1481.   3  4  1  0  0  0
    1482. 

  1482.   3  8  1  0  0  0
    1483. 

  1483.   3 14  1  0  0  0
    1484. 

  1484.   4  5  1  0  0  0
    1485. 

  1485.   4  7  1  0  0  0
    1486. 

  1486.   4 15  1  0  0  0
    1487. 

  1487.   5  6  1  0  0  0
    1488. 

  1488.   5 16  1  0  0  0
    1489. 

  1489.   5 17  1  0  0  0
    1490. 

  1490.   6 18  1  0  0  0
    1491. 

  1491.   6 19  1  0  0  0
    1492. 

  1492.   6 20  1  0  0  0
    1493. 

  1493.   7 21  1  0  0  0
    1494. 

  1494.   7 22  1  0  0  0
    1495. 

  1495.   7 23  1  0  0  0
    1496. 

  1496.   8 24  1  0  0  0
    1497. 

  1497.   8 25  1  0  0  0
    1498. 

  1498.   8 26  1  0  0  0
    1499. 

  1499. M  END
    1500. 

  1500. $$$$
    1501. 

  1501. dan033.hin
    1502. 

  1502.  OpenBabel0803D
    1503. 

  1503. 

  1504.  26 25  0  0  0  0  0  0  0  0999 V2000
    1505. 

  1505.     0.0000    0.0000    0.0000 C   0  0  0  0  0
    1506. 

  1506.     1.5111    0.0000    0.0000 C   0  0  0  0  0
    1507. 

  1507.     2.0723    1.4135    0.0000 C   0  0  0  0  0
    1508. 

  1508.     3.6026    1.4276    0.0948 C   0  0  0  0  0
    1509. 

  1509.     4.1088    2.8563   -0.1360 C   0  0  0  0  0
    1510. 

  1510.     5.5287    2.9035   -0.6543 C   0  0  0  0  0
    1511. 

  1511.     4.0473    0.8684    1.4512 C   0  0  0  0  0
    1512. 

  1512.     5.4513    0.3088    1.4331 C   0  0  0  0  0
    1513. 

  1513.    -0.3980   -1.0227   -0.0010 H   0  0  0  0  0
    1514. 

  1514.    -0.4060    0.5093    0.8842 H   0  0  0  0  0
    1515. 

  1515.    -0.4043    0.5108   -0.8841 H   0  0  0  0  0
    1516. 

  1516.     1.8997   -0.5444    0.8905 H   0  0  0  0  0
    1517. 

  1517.     1.8917   -0.5580   -0.8782 H   0  0  0  0  0
    1518. 

  1518.     1.7485    1.9388   -0.9215 H   0  0  0  0  0
    1519. 

  1519.     1.6412    1.9926    0.8415 H   0  0  0  0  0
    1520. 

  1520.     4.0075    0.7693   -0.7139 H   0  0  0  0  0
    1521. 

  1521.     3.4465    3.3717   -0.8619 H   0  0  0  0  0
    1522. 

  1522.     4.0278    3.4422    0.8016 H   0  0  0  0  0
    1523. 

  1523.     5.8685    3.9383   -0.7880 H   0  0  0  0  0
    1524. 

  1524.     6.2304    2.4116    0.0393 H   0  0  0  0  0
    1525. 

  1525.     5.6245    2.3980   -1.6244 H   0  0  0  0  0
    1526. 

  1526.     3.9582    1.6498    2.2320 H   0  0  0  0  0
    1527. 

  1527.     3.3391    0.0627    1.7544 H   0  0  0  0  0
    1528. 

  1528.     5.7432   -0.0630    2.4233 H   0  0  0  0  0
    1529. 

  1529.     5.5467   -0.5265    0.7267 H   0  0  0  0  0
    1530. 

  1530.     6.1887    1.0722    1.1351 H   0  0  0  0  0
    1531. 

  1531.   1  2  1  0  0  0
    1532. 

  1532.   1  9  1  0  0  0
    1533. 

  1533.   1 10  1  0  0  0
    1534. 

  1534.   1 11  1  0  0  0
    1535. 

  1535.   2  3  1  0  0  0
    1536. 

  1536.   2 12  1  0  0  0
    1537. 

  1537.   2 13  1  0  0  0
    1538. 

  1538.   3  4  1  0  0  0
    1539. 

  1539.   3 14  1  0  0  0
    1540. 

  1540.   3 15  1  0  0  0
    1541. 

  1541.   4  5  1  0  0  0
    1542. 

  1542.   4  7  1  0  0  0
    1543. 

  1543.   4 16  1  0  0  0
    1544. 

  1544.   5  6  1  0  0  0
    1545. 

  1545.   5 17  1  0  0  0
    1546. 

  1546.   5 18  1  0  0  0
    1547. 

  1547.   6 19  1  0  0  0
    1548. 

  1548.   6 20  1  0  0  0
    1549. 

  1549.   6 21  1  0  0  0
    1550. 

  1550.   7  8  1  0  0  0
    1551. 

  1551.   7 22  1  0  0  0
    1552. 

  1552.   7 23  1  0  0  0
    1553. 

  1553.   8 24  1  0  0  0
    1554. 

  1554.   8 25  1  0  0  0
    1555. 

  1555.   8 26  1  0  0  0
    1556. 

  1556. M  END
    1557. 

  1557. $$$$
    1558. 

  1558. dan034.hin
    1559. 

  1559.  OpenBabel0803D
    1560. 

  1560. 

  1561.  26 25  0  0  0  0  0  0  0  0999 V2000
    1562. 

  1562.     0.0000    0.0000    0.0000 C   0  0  0  0  0
    1563. 

  1563.     1.5124    0.0000    0.0000 C   0  0  0  0  0
    1564. 

  1564.     2.0939    1.4181    0.0000 C   0  0  0  0  0
    1565. 

  1565.     3.5411    1.4650    0.5638 C   0  0  0  0  0
    1566. 

  1566.     4.0245    2.9170    0.5955 C   0  0  0  0  0
    1567. 

  1567.     3.5535    0.9277    1.9965 C   0  0  0  0  0
    1568. 

  1568.     4.5038    0.6377   -0.2850 C   0  0  0  0  0
    1569. 

  1569.     2.0059    2.0194   -1.3963 C   0  0  0  0  0
    1570. 

  1570.    -0.3950   -1.0240   -0.0006 H   0  0  0  0  0
    1571. 

  1571.    -0.4075    0.5077    0.8847 H   0  0  0  0  0
    1572. 

  1572.    -0.4088    0.5085   -0.8839 H   0  0  0  0  0
    1573. 

  1573.     1.8830   -0.5518    0.8934 H   0  0  0  0  0
    1574. 

  1574.    …
    1575.

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