@MOLECULE FDBD01889 32 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.1363 1.5176 -0.0519 C.3 1 UNK -0.0548 2 C1 0.0357 -0.0010 0.0194 C.3 1 UNK 0.0045 3 C2 0.8979 -0.3603 1.2311 C.3 1 UNK -0.0548 4 C3 -1.3366 -0.6638 0.1553 C.3 1 UNK -0.0548 5 C4 0.7074 -0.4901 -1.2379 C.2 1 UNK 0.0734 6 N 1.0896 0.3476 -2.1264 N.2 1 UNK -0.0807 7 O 0.8038 1.5264 -2.0151 O.3 1 UNK -0.2991 8 C5 1.2366 2.3544 -2.9844 C.2 1 UNK 0.4257 9 O1 1.8815 1.9149 -3.9159 O.2 1 UNK -0.2241 10 N1 0.9547 3.6709 -2.9216 N.am 1 UNK -0.2824 11 C6 1.4257 4.5720 -3.9764 C.3 1 UNK 0.0033 12 C7 0.9291 -1.9657 -1.4486 C.3 1 UNK 0.0355 13 S 1.7531 -2.2318 -3.0426 S.3 1 UNK -0.1581 14 C8 1.9304 -4.0357 -3.1142 C.3 1 UNK -0.0178 15 H 0.8414 1.9898 -0.1488 H 1 UNK 0.0238 16 H1 -0.7505 1.7736 -0.9152 H 1 UNK 0.0238 17 H2 -0.6221 1.8714 0.8574 H 1 UNK 0.0238 18 H3 0.4120 -0.0066 2.1405 H 1 UNK 0.0238 19 H4 1.0204 -1.4422 1.2819 H 1 UNK 0.0238 20 H5 1.8755 0.1119 1.1343 H 1 UNK 0.0238 21 H6 -1.9508 -0.4078 -0.7080 H 1 UNK 0.0238 22 H7 -1.2141 -1.7457 0.2061 H 1 UNK 0.0238 23 H8 -1.8225 -0.3101 1.0646 H 1 UNK 0.0238 24 H9 0.4400 4.0217 -2.1781 H 1 UNK 0.1517 25 H10 1.1035 5.5896 -3.7555 H 1 UNK 0.0427 26 H11 2.5141 4.5377 -4.0243 H 1 UNK 0.0427 27 H12 1.0098 4.2590 -4.9341 H 1 UNK 0.0427 28 H13 1.5546 -2.3574 -0.6464 H 1 UNK 0.0438 29 H14 -0.0311 -2.4815 -1.4454 H 1 UNK 0.0438 30 H15 2.4218 -4.3158 -4.0460 H 1 UNK 0.0341 31 H16 2.5308 -4.3756 -2.2703 H 1 UNK 0.0341 32 H17 0.9450 -4.4997 -3.0693 H 1 UNK 0.0341 @BOND 1 1 2 1 2 1 15 1 3 1 16 1 4 1 17 1 5 2 3 1 6 2 4 1 7 2 5 1 8 3 18 1 9 3 19 1 10 3 20 1 11 4 21 1 12 4 22 1 13 4 23 1 14 5 6 2 15 5 12 1 16 6 7 1 17 7 8 1 18 8 9 2 19 8 10 am 20 10 11 1 21 10 24 1 22 11 25 1 23 11 26 1 24 11 27 1 25 12 13 1 26 12 28 1 27 12 29 1 28 13 14 1 29 14 30 1 30 14 31 1 31 14 32 1