@MOLECULE FDBD01200 45 47 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.0121 -1.9815 -0.2722 O.2 1 UNK -0.2701 2 O1 1.0791 1.7927 0.1633 O.3 1 UNK -0.4943 3 N -4.1651 0.1012 0.2646 N.4 1 UNK 0.2413 4 N1 -0.4737 -0.0482 0.9249 N.am 1 UNK -0.3059 5 N2 5.1764 -1.7978 -0.2209 N.ar 1 UNK -0.1548 6 N3 5.7123 0.4442 -0.2607 N.ar 1 UNK -0.1547 7 N4 6.0971 -0.8339 -0.3004 N.ar 1 UNK -0.1956 8 C -2.7226 0.2569 0.0310 C.3 1 UNK -0.0045 9 C1 -2.5628 1.7738 -0.0924 C.3 1 UNK -0.0034 10 C2 -3.9281 2.2880 -0.5357 C.3 1 UNK -0.0074 11 C3 -4.8004 1.0494 -0.6539 C.3 1 UNK -0.0311 12 C4 -1.8632 -0.3125 1.1527 C.3 1 UNK 0.0548 13 C5 -4.6423 -1.2584 0.0425 C.3 1 UNK -0.0130 14 C6 -6.1224 -1.3636 0.2464 C.2 1 UNK -0.0465 15 C7 0.3546 -0.9174 0.2194 C.2 1 UNK 0.2479 16 C8 1.7781 -0.5117 0.0923 C.ar 1 UNK 0.0804 17 C9 -6.9835 -1.7410 -0.7055 C.2 1 UNK -0.0977 18 C10 2.0826 0.8626 0.0702 C.ar 1 UNK 0.1344 19 C11 2.7097 -1.5460 0.0037 C.ar 1 UNK -0.0168 20 C12 4.0372 -1.0942 -0.1150 C.ar 1 UNK 0.1135 21 C13 3.3999 1.3422 -0.0472 C.ar 1 UNK 0.0101 22 C14 4.3790 0.3355 -0.1400 C.ar 1 UNK 0.1160 23 C15 1.4702 3.1597 0.1333 C.3 1 UNK 0.0788 24 H -4.3946 0.2878 1.2408 H 1 UNK 0.2040 25 H1 -0.0877 0.7839 1.2826 H 1 UNK 0.1492 26 H2 7.0505 -1.0633 -0.3875 H 1 UNK 0.2125 27 H3 -2.3915 -0.2842 -0.8307 H 1 UNK 0.0867 28 H4 -1.8172 2.0140 -0.8213 H 1 UNK 0.0322 29 H5 -2.2495 2.2180 0.8292 H 1 UNK 0.0322 30 H6 -3.8532 2.7858 -1.4799 H 1 UNK 0.0319 31 H7 -4.3323 2.9976 0.1557 H 1 UNK 0.0319 32 H8 -5.8059 1.2586 -0.3539 H 1 UNK 0.0815 33 H9 -4.8695 0.6798 -1.6557 H 1 UNK 0.0815 34 H10 -2.1565 0.1355 2.0791 H 1 UNK 0.0518 35 H11 -2.0060 -1.3724 1.1847 H 1 UNK 0.0518 36 H12 -4.1497 -1.9156 0.7283 H 1 UNK 0.0861 37 H13 -4.4239 -1.5285 -0.9695 H 1 UNK 0.0861 38 H14 -6.5010 -1.1308 1.1778 H 1 UNK 0.0619 39 H15 -6.6382 -1.9808 -1.6480 H 1 UNK 0.0534 40 H16 -7.9930 -1.7923 -0.4972 H 1 UNK 0.0534 41 H17 2.4508 -2.5448 0.0233 H 1 UNK 0.0649 42 H18 3.6292 2.3483 -0.0639 H 1 UNK 0.0677 43 H19 0.6025 3.7807 0.2131 H 1 UNK 0.0660 44 H20 1.9734 3.3666 -0.7881 H 1 UNK 0.0660 45 H21 2.1290 3.3603 0.9523 H 1 UNK 0.0660 @BOND 1 1 15 2 2 2 18 1 3 2 23 1 4 3 8 1 5 3 11 1 6 3 13 1 7 4 12 1 8 4 15 am 9 5 7 ar 10 5 20 ar 11 6 7 ar 12 6 22 ar 13 8 9 1 14 8 12 1 15 9 10 1 16 10 11 1 17 13 14 1 18 14 17 2 19 15 16 1 20 16 18 ar 21 16 19 ar 22 18 21 ar 23 19 20 ar 24 20 22 ar 25 21 22 ar 26 3 24 1 27 4 25 1 28 7 26 1 29 8 27 1 30 9 28 1 31 9 29 1 32 10 30 1 33 10 31 1 34 11 32 1 35 11 33 1 36 12 34 1 37 12 35 1 38 13 36 1 39 13 37 1 40 14 38 1 41 17 39 1 42 17 40 1 43 19 41 1 44 21 42 1 45 23 43 1 46 23 44 1 47 23 45 1