@MOLECULE cositecan 60 64 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -4.8690 -0.3513 0.3060 C.3 1 UNL1 0.1801 2 C 4.0715 -2.5324 -0.4066 C.ar 1 UNL1 -0.1356 3 C 1.9094 -4.2522 0.0957 C.ar 1 UNL1 -0.1385 4 C 4.2767 -3.8772 -0.2195 C.ar 1 UNL1 -0.1494 5 C 3.1871 -4.7452 0.0309 C.ar 1 UNL1 -0.1327 6 C -5.2093 -0.2982 1.8061 C.3 1 UNL1 -0.2886 7 C 3.6025 0.3976 -0.8104 C.3 1 UNL1 -0.2595 8 C 4.1628 0.8691 0.5431 C.3 1 UNL1 -0.3569 9 C -6.6139 -0.8177 2.0874 C.3 1 UNL1 -0.4427 10 C 5.0477 3.6195 -0.5012 C.3 1 UNL1 -0.5383 11 C 6.0220 2.5823 2.2085 C.3 1 UNL1 -0.5469 12 C 7.0527 1.3124 -0.3838 C.3 1 UNL1 -0.5454 13 H -5.9136 -1.8893 -0.3749 H 1 UNL1 0.3405 14 C 2.5016 -0.5831 -0.5411 C.ar 1 UNL1 0.0699 15 O -1.5247 3.0658 -0.5446 O.2 1 UNL1 -0.5208 16 O -6.8697 0.1327 -0.9464 O.2 1 UNL1 -0.4559 17 C 0.5839 1.1901 -0.5584 C.3 1 UNL1 -0.0516 18 C -4.3166 2.3818 -0.1822 C.3 1 UNL1 -0.0042 19 O -4.9709 -1.6698 -0.1694 O.3 1 UNL1 -0.5153 20 C -1.8581 1.9140 -0.3585 C.ar 1 UNL1 0.5900 21 C -5.8311 0.5396 -0.4938 C.2 1 UNL1 0.5412 22 C 0.1663 -1.1412 -0.1742 C.ar 1 UNL1 0.1448 23 C 1.2043 -0.1725 -0.4439 C.ar 1 UNL1 -0.1689 24 O -5.5194 1.8363 -0.7213 O.3 1 UNL1 -0.3737 25 C -2.3973 -0.8815 0.0834 C.ar 1 UNL1 -0.2503 26 C -1.1250 -0.4286 -0.1219 C.ar 1 UNL1 0.2126 27 C -3.4443 0.0761 0.0714 C.ar 1 UNL1 0.0935 28 C -3.1997 1.4036 -0.1417 C.ar 1 UNL1 -0.2758 29 C 2.7663 -1.9819 -0.3526 C.ar 1 UNL1 -0.0884 30 C 1.6793 -2.8601 -0.0915 C.ar 1 UNL1 0.1424 31 N 0.3692 -2.4236 -0.0032 N.ar 1 UNL1 -0.3339 32 N -0.8589 0.9219 -0.3297 N.ar 1 UNL1 -0.4071 33 SI 5.5843 2.1073 0.4554 Si 1 UNL1 0.2529 34 H -2.6105 -1.9422 0.2334 H 1 UNL1 0.2152 35 H 0.9645 1.9091 0.2033 H 1 UNL1 0.1763 36 H 0.7307 1.6592 -1.5586 H 1 UNL1 0.1769 37 H -4.1212 3.2322 -0.8765 H 1 UNL1 0.1825 38 H -4.5658 2.7832 0.8209 H 1 UNL1 0.1457 39 H -4.4659 -0.9147 2.3564 H 1 UNL1 0.1673 40 H -5.0920 0.7339 2.1884 H 1 UNL1 0.1506 41 H 3.2125 1.2490 -1.4131 H 1 UNL1 0.1593 42 H 4.3832 -0.0666 -1.4522 H 1 UNL1 0.1573 43 H 4.9178 -1.8705 -0.5962 H 1 UNL1 0.1629 44 H 1.0485 -4.8959 0.2887 H 1 UNL1 0.1809 45 H 5.2820 -4.2953 -0.2618 H 1 UNL1 0.1568 46 H 3.3384 1.3233 1.1456 H 1 UNL1 0.1586 47 H 4.5062 -0.0172 1.1309 H 1 UNL1 0.1577 48 H 3.3807 -5.8085 0.1713 H 1 UNL1 0.1579 49 H -7.3816 -0.2679 1.5260 H 1 UNL1 0.1596 50 H -6.7122 -1.8788 1.8247 H 1 UNL1 0.1530 51 H -6.8643 -0.7258 3.1510 H 1 UNL1 0.1483 52 H 4.1645 4.1000 -0.0432 H 1 UNL1 0.1640 53 H 5.8521 4.3760 -0.5347 H 1 UNL1 0.1581 54 H 4.7877 3.3706 -1.5454 H 1 UNL1 0.1602 55 H 6.3276 1.7049 2.8054 H 1 UNL1 0.1610 56 H 6.8593 3.3024 2.2315 H 1 UNL1 0.1608 57 H 5.1688 3.0548 2.7272 H 1 UNL1 0.1625 58 H 6.8178 1.0226 -1.4229 H 1 UNL1 0.1591 59 H 7.9154 2.0012 -0.4221 H 1 UNL1 0.1600 60 H 7.3819 0.4041 0.1507 H 1 UNL1 0.1596 @BOND 1 36 17 1 2 54 10 1 3 42 7 1 4 58 12 1 5 41 7 1 6 16 21 2 7 37 18 1 8 7 14 1 9 7 8 1 10 24 21 1 11 24 18 1 12 43 2 1 13 17 23 1 14 17 32 1 15 17 35 1 16 15 20 2 17 14 23 ar 18 14 29 ar 19 53 10 1 20 10 52 1 21 10 33 1 22 21 1 1 23 23 22 ar 24 59 12 1 25 2 29 ar 26 2 4 ar 27 12 60 1 28 12 33 1 29 13 19 1 30 20 32 ar 31 20 28 ar 32 29 30 ar 33 32 26 ar 34 45 4 1 35 4 5 ar 36 18 28 1 37 18 38 1 38 22 26 1 39 22 31 ar 40 19 1 1 41 28 27 ar 42 26 25 ar 43 30 31 ar 44 30 3 ar 45 5 3 ar 46 5 48 1 47 27 25 ar 48 27 1 1 49 25 34 1 50 3 44 1 51 1 6 1 52 33 8 1 53 33 11 1 54 8 47 1 55 8 46 1 56 49 9 1 57 6 9 1 58 6 40 1 59 6 39 1 60 50 9 1 61 9 51 1 62 11 56 1 63 11 57 1 64 11 55 1