@MOLECULE pf-02545920 50 54 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.6178 -0.1746 0.3724 O.3 1 UNL1 -0.3462 2 N 5.7303 -2.2891 0.1369 N.ar 1 UNL1 -0.0554 3 N 4.3890 -2.4328 0.2335 N.ar 1 UNL1 -0.2705 4 N -4.9245 -0.8274 -0.7070 N.ar 1 UNL1 -0.4068 5 N 4.5703 3.9727 -0.5717 N.ar 1 UNL1 -0.3857 6 C 3.8567 -1.1814 0.1223 C.ar 1 UNL1 0.0851 7 C 4.9120 -0.2246 -0.0502 C.ar 1 UNL1 -0.1932 8 C 2.4245 -0.9532 0.1750 C.ar 1 UNL1 -0.0877 9 C 6.1003 -0.9750 -0.0301 C.ar 1 UNL1 -0.0857 10 C 4.7946 1.2018 -0.2301 C.ar 1 UNL1 0.1082 11 C 1.5594 -1.8113 -0.5071 C.ar 1 UNL1 -0.0466 12 C 1.9096 0.1254 0.9097 C.ar 1 UNL1 -0.0686 13 C -0.3071 -0.5139 0.2469 C.ar 1 UNL1 0.2748 14 C 0.1830 -1.5969 -0.4805 C.ar 1 UNL1 -0.3019 15 C 0.5443 0.3567 0.9488 C.ar 1 UNL1 -0.2443 16 C -2.5701 -0.9928 -0.3081 C.3 1 UNL1 -0.0519 17 C -3.9118 -0.3915 0.0266 C.ar 1 UNL1 0.1848 18 C -6.4186 0.6152 0.5721 C.ar 1 UNL1 -0.0934 19 C -6.1837 -0.3399 -0.4492 C.ar 1 UNL1 0.1628 20 C 6.5919 -3.4538 0.2253 C.3 1 UNL1 -0.2373 21 C 3.7993 1.7410 -1.0535 C.ar 1 UNL1 -0.2527 22 C 5.6795 2.0737 0.4155 C.ar 1 UNL1 -0.2654 23 C -4.0574 0.5656 1.0748 C.ar 1 UNL1 -0.2194 24 C -5.3067 1.0625 1.3371 C.ar 1 UNL1 -0.0905 25 C -7.7418 1.0809 0.7881 C.ar 1 UNL1 -0.1325 26 C -7.2709 -0.8162 -1.2402 C.ar 1 UNL1 -0.1520 27 C 3.7227 3.1301 -1.1933 C.ar 1 UNL1 0.0656 28 C 5.5293 3.4499 0.2158 C.ar 1 UNL1 0.0638 29 C -8.7734 0.6113 0.0167 C.ar 1 UNL1 -0.1560 30 C -8.5350 -0.3444 -1.0053 C.ar 1 UNL1 -0.1317 31 H 7.1159 -0.6507 -0.1345 H 1 UNL1 0.1795 32 H 1.9688 -2.6570 -1.0630 H 1 UNL1 0.1607 33 H 2.5928 0.7824 1.4511 H 1 UNL1 0.1614 34 H -0.4740 -2.2709 -1.0179 H 1 UNL1 0.1643 35 H 0.1264 1.1895 1.5061 H 1 UNL1 0.1746 36 H -2.5020 -2.0354 0.0629 H 1 UNL1 0.1563 37 H -2.3729 -0.9644 -1.3989 H 1 UNL1 0.1615 38 H 7.1778 -3.5760 -0.7047 H 1 UNL1 0.1593 39 H 5.9891 -4.3747 0.3737 H 1 UNL1 0.1847 40 H 7.2848 -3.3597 1.0821 H 1 UNL1 0.1591 41 H 3.0997 1.0899 -1.5722 H 1 UNL1 0.1776 42 H 6.4570 1.6912 1.0666 H 1 UNL1 0.1646 43 H -3.1810 0.8815 1.6405 H 1 UNL1 0.1881 44 H -5.4684 1.7974 2.1259 H 1 UNL1 0.1620 45 H -7.9178 1.8141 1.5741 H 1 UNL1 0.1565 46 H -7.0598 -1.5503 -2.0182 H 1 UNL1 0.1750 47 H 2.9593 3.6018 -1.8224 H 1 UNL1 0.1696 48 H 6.1933 4.1742 0.6990 H 1 UNL1 0.1642 49 H -9.7916 0.9633 0.1749 H 1 UNL1 0.1557 50 H -9.3781 -0.6953 -1.5999 H 1 UNL1 0.1558 @BOND 1 46 26 1 2 47 27 1 3 50 30 1 4 41 21 1 5 37 16 1 6 26 30 ar 7 26 19 ar 8 27 21 ar 9 27 5 ar 10 32 11 1 11 21 10 ar 12 34 14 1 13 30 29 ar 14 4 19 ar 15 4 17 ar 16 38 20 1 17 5 28 ar 18 11 14 ar 19 11 8 ar 20 14 13 ar 21 19 18 ar 22 16 17 1 23 16 36 1 24 16 1 1 25 10 7 1 26 10 22 ar 27 31 9 1 28 7 9 ar 29 7 6 ar 30 9 2 ar 31 29 49 1 32 29 25 ar 33 17 23 ar 34 6 8 1 35 6 3 ar 36 2 20 1 37 2 3 ar 38 8 12 ar 39 28 22 ar 40 28 48 1 41 20 39 1 42 20 40 1 43 13 1 1 44 13 15 ar 45 22 42 1 46 18 25 ar 47 18 24 ar 48 25 45 1 49 12 15 ar 50 12 33 1 51 15 35 1 52 23 24 ar 53 23 43 1 54 24 44 1