@MOLECULE FDBD02082 38 37 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5258 0.0104 C.3 1 UNK -0.0643 2 C1 0.0021 -0.0041 0.0020 C.3 1 UNK -0.0438 3 C2 -1.4333 -0.5336 0.0129 C.3 1 UNK 0.0118 4 C3 -1.4157 -2.0577 -0.1212 C.3 1 UNK -0.0528 5 S -2.2359 -0.0732 1.5731 S.3 1 UNK -0.0560 6 P -4.2299 -0.7388 1.2983 P.3 1 UNK 0.3153 7 O -4.8227 -0.0516 0.1292 O.2 1 UNK -0.2668 8 O1 -4.2348 -2.3288 1.0456 O.3 1 UNK -0.3131 9 C4 -3.7268 -3.2692 1.9941 C.3 1 UNK 0.0535 10 C5 -3.8838 -4.6870 1.4408 C.3 1 UNK -0.0411 11 S1 -5.3681 -0.2951 3.0309 S.3 1 UNK -0.0560 12 C6 -7.0150 -0.9291 2.6107 C.3 1 UNK 0.0118 13 C7 -6.9796 -2.4583 2.5777 C.3 1 UNK -0.0528 14 C8 -8.0240 -0.4648 3.6629 C.3 1 UNK -0.0438 15 C9 -8.1513 1.0590 3.6101 C.3 1 UNK -0.0643 16 H 0.9851 1.8962 0.0028 H 1 UNK 0.0230 17 H1 -0.5195 1.8709 0.8907 H 1 UNK 0.0230 18 H2 -0.5362 1.8802 -0.8564 H 1 UNK 0.0230 19 H3 0.5196 -0.3586 0.8689 H 1 UNK 0.0273 20 H4 0.5029 -0.3492 -0.8783 H 1 UNK 0.0273 21 H5 -1.9760 -0.1097 -0.8060 H 1 UNK 0.0414 22 H6 -0.8730 -2.4816 0.6978 H 1 UNK 0.0240 23 H7 -0.9423 -2.3293 -1.0415 H 1 UNK 0.0240 24 H8 -2.4195 -2.4280 -0.1136 H 1 UNK 0.0240 25 H9 -4.2722 -3.1815 2.9105 H 1 UNK 0.0562 26 H10 -2.6913 -3.0695 2.1749 H 1 UNK 0.0562 27 H11 -4.9193 -4.8867 1.2600 H 1 UNK 0.0252 28 H12 -3.5034 -5.3912 2.1510 H 1 UNK 0.0252 29 H13 -3.3384 -4.7747 0.5244 H 1 UNK 0.0252 30 H14 -7.3055 -0.5583 1.6500 H 1 UNK 0.0414 31 H15 -6.6891 -2.8291 3.5384 H 1 UNK 0.0240 32 H16 -6.2740 -2.7829 1.8418 H 1 UNK 0.0240 33 H17 -7.9510 -2.8323 2.3298 H 1 UNK 0.0240 34 H18 -7.6879 -0.7612 4.6346 H 1 UNK 0.0273 35 H19 -8.9767 -0.9094 3.4640 H 1 UNK 0.0273 36 H20 -7.1986 1.5036 3.8090 H 1 UNK 0.0230 37 H21 -8.8570 1.3837 4.3460 H 1 UNK 0.0230 38 H22 -8.4874 1.3554 2.6384 H 1 UNK 0.0230 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 6 11 1 9 8 9 1 10 9 10 1 11 11 12 1 12 12 13 1 13 12 14 1 14 14 15 1 15 1 16 1 16 1 17 1 17 1 18 1 18 2 19 1 19 2 20 1 20 3 21 1 21 4 22 1 22 4 23 1 23 4 24 1 24 9 25 1 25 9 26 1 26 10 27 1 27 10 28 1 28 10 29 1 29 12 30 1 30 13 31 1 31 13 32 1 32 13 33 1 33 14 34 1 34 14 35 1 35 15 36 1 36 15 37 1 37 15 38 1