@MOLECULE FDBD01640 66 68 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.3863 -0.6684 -2.4396 O.3 1 UNK -0.3851 2 O1 0.5290 2.0996 1.2449 O.2 1 UNK -0.2758 3 O2 -1.6017 -3.1725 1.1382 O.3 1 UNK -0.4849 4 O3 -3.4841 -2.1027 -0.7649 O.3 1 UNK -0.4849 5 N 4.7394 -0.0406 0.1564 N.4 1 UNK 0.2366 6 N1 1.5636 1.6659 -0.7896 N.am 1 UNK -0.3047 7 C 4.4394 -0.2383 1.5742 C.3 1 UNK -0.0317 8 C1 6.1472 0.3545 0.1177 C.3 1 UNK -0.0317 9 C2 3.8680 0.9467 -0.4634 C.3 1 UNK -0.0103 10 C3 5.6695 -0.9753 2.0827 C.3 1 UNK -0.0077 11 C4 6.7926 -0.5829 1.1277 C.3 1 UNK -0.0077 12 C5 2.3847 0.5628 -0.3470 C.3 1 UNK 0.0930 13 C6 2.0020 -0.7558 -1.0634 C.3 1 UNK 0.1035 14 C7 0.5551 -1.1391 -0.9791 C.ar 1 UNK -0.0135 15 C8 0.6974 2.3463 0.0538 C.2 1 UNK 0.2135 16 C9 -0.0379 3.4550 -0.6782 C.3 1 UNK 0.0240 17 C10 -1.4232 3.7217 -0.0939 C.3 1 UNK -0.0448 18 C11 0.1145 -1.9773 0.0455 C.ar 1 UNK -0.0106 19 C12 -2.2950 2.4660 -0.1325 C.3 1 UNK -0.0526 20 C13 -0.3499 -0.6523 -1.9228 C.ar 1 UNK -0.0524 21 C14 -3.6718 2.7247 0.4840 C.3 1 UNK -0.0531 22 C15 -1.2332 -2.3298 0.1222 C.ar 1 UNK 0.1624 23 C16 -4.5282 1.4566 0.4787 C.3 1 UNK -0.0533 24 C17 -1.7000 -0.9934 -1.8390 C.ar 1 UNK -0.0159 25 C18 -2.1438 -1.8203 -0.8068 C.ar 1 UNK 0.1621 26 C19 -5.9090 1.6549 1.1074 C.3 1 UNK -0.0559 27 C20 -2.8993 -3.7335 0.9218 C.3 1 UNK 0.1237 28 C21 -3.8742 -2.6530 0.4963 C.3 1 UNK 0.1237 29 C22 -6.7374 0.3808 1.1685 C.3 1 UNK -0.0653 30 H 3.3222 -0.4205 -2.4988 H 1 UNK 0.2103 31 H1 4.5737 -0.8900 -0.3836 H 1 UNK 0.2034 32 H2 1.6213 1.9472 -1.7313 H 1 UNK 0.1493 33 H3 3.5565 -0.8291 1.7021 H 1 UNK 0.0814 34 H4 4.2483 0.6755 2.0970 H 1 UNK 0.0814 35 H5 6.2681 1.3768 0.4096 H 1 UNK 0.0814 36 H6 6.5786 0.2843 -0.8590 H 1 UNK 0.0814 37 H7 4.1226 1.0297 -1.4993 H 1 UNK 0.0834 38 H8 4.0086 1.8767 0.0467 H 1 UNK 0.0834 39 H9 5.5096 -2.0330 2.0598 H 1 UNK 0.0319 40 H10 5.8985 -0.7203 3.0963 H 1 UNK 0.0319 41 H11 7.5770 -0.0827 1.6562 H 1 UNK 0.0319 42 H12 7.2338 -1.4363 0.6566 H 1 UNK 0.0319 43 H13 2.2011 0.3643 0.6883 H 1 UNK 0.0581 44 H14 2.5302 -1.5275 -0.5434 H 1 UNK 0.0664 45 H15 -0.1466 3.1750 -1.7052 H 1 UNK 0.0358 46 H16 0.5374 4.3511 -0.5739 H 1 UNK 0.0358 47 H17 -1.8985 4.4934 -0.6627 H 1 UNK 0.0270 48 H18 -1.3068 4.0202 0.9270 H 1 UNK 0.0270 49 H19 0.7836 -2.3356 0.7447 H 1 UNK 0.0659 50 H20 -1.8083 1.6870 0.4163 H 1 UNK 0.0265 51 H21 -2.4313 2.1812 -1.1549 H 1 UNK 0.0265 52 H22 -0.0200 -0.0388 -2.6842 H 1 UNK 0.0622 53 H23 -4.1700 3.4845 -0.0811 H 1 UNK 0.0265 54 H24 -3.5354 3.0369 1.4983 H 1 UNK 0.0265 55 H25 -4.0119 0.6961 1.0264 H 1 UNK 0.0265 56 H26 -4.6825 1.1832 -0.5442 H 1 UNK 0.0265 57 H27 -2.3686 -0.6350 -2.5387 H 1 UNK 0.0655 58 H28 -6.4436 2.3789 0.5287 H 1 UNK 0.0263 59 H29 -5.7520 1.9765 2.1158 H 1 UNK 0.0263 60 H30 -3.2451 -4.1839 1.8287 H 1 UNK 0.0731 61 H31 -2.8360 -4.4701 0.1483 H 1 UNK 0.0731 62 H32 -4.8536 -3.0751 0.4097 H 1 UNK 0.0731 63 H33 -3.8746 -1.8750 1.2309 H 1 UNK 0.0731 64 H34 -6.9176 0.0246 0.1758 H 1 UNK 0.0230 65 H35 -7.6713 0.5853 1.6491 H 1 UNK 0.0230 66 H36 -6.2061 -0.3638 1.7236 H 1 UNK 0.0230 @BOND 1 1 13 1 2 2 15 2 3 3 22 1 4 3 27 1 5 4 25 1 6 4 28 1 7 5 7 1 8 5 8 1 9 5 9 1 10 6 12 1 11 6 15 am 12 7 10 1 13 8 11 1 14 9 12 1 15 10 11 1 16 12 13 1 17 13 14 1 18 14 18 ar 19 14 20 ar 20 15 16 1 21 16 17 1 22 17 19 1 23 18 22 ar 24 19 21 1 25 20 24 ar 26 21 23 1 27 22 25 ar 28 23 26 1 29 24 25 ar 30 26 29 1 31 27 28 1 32 1 30 1 33 5 31 1 34 6 32 1 35 7 33 1 36 7 34 1 37 8 35 1 38 8 36 1 39 9 37 1 40 9 38 1 41 10 39 1 42 10 40 1 43 11 41 1 44 11 42 1 45 12 43 1 46 13 44 1 47 16 45 1 48 16 46 1 49 17 47 1 50 17 48 1 51 18 49 1 52 19 50 1 53 19 51 1 54 20 52 1 55 21 53 1 56 21 54 1 57 23 55 1 58 23 56 1 59 24 57 1 60 26 58 1 61 26 59 1 62 27 60 1 63 27 61 1 64 28 62 1 65 28 63 1 66 29 64 1 67 29 65 1 68 29 66 1