@MOLECULE FDBD02116 36 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.8146 1.6678 0.4205 C.3 1 UNK -0.0411 2 C1 -0.4451 0.1852 0.3414 C.3 1 UNK 0.0525 3 O -1.6002 -0.5750 -0.0192 O.3 1 UNK -0.3236 4 P -1.6203 -2.1848 -0.0363 P.3 1 UNK 0.2296 5 S -0.7979 -2.8327 1.5053 S.2 1 UNK 0.0032 6 O1 -3.1440 -2.7020 -0.0895 O.3 1 UNK -0.3236 7 C2 -3.5183 -4.0513 0.1952 C.3 1 UNK 0.0525 8 C3 -5.0344 -4.2009 0.0533 C.3 1 UNK -0.0411 9 S1 -0.5758 -2.8864 -1.7425 S.3 1 UNK -0.0646 10 C4 1.1379 -2.3998 -1.4006 C.3 1 UNK 0.0787 11 C5 1.7350 -3.3420 -0.3873 C.2 1 UNK 0.2236 12 O2 1.0699 -4.2521 0.0602 O.2 1 UNK -0.2749 13 N 3.0080 -3.1732 0.0217 N.am 1 UNK -0.3123 14 C6 3.5885 -4.0891 1.0068 C.3 1 UNK 0.0175 15 C7 4.1367 -5.3259 0.2923 C.3 1 UNK -0.0469 16 C8 4.7246 -3.3845 1.7509 C.3 1 UNK -0.0469 17 H 0.0664 2.2476 0.6955 H 1 UNK 0.0252 18 H1 -1.1819 2.0030 -0.5495 H 1 UNK 0.0252 19 H2 -1.5916 1.8090 1.1718 H 1 UNK 0.0252 20 H3 0.3318 0.0439 -0.4100 H 1 UNK 0.0561 21 H4 -0.0778 -0.1500 1.3113 H 1 UNK 0.0561 22 H5 -3.0200 -4.7220 -0.5047 H 1 UNK 0.0561 23 H6 -3.2221 -4.3034 1.2135 H 1 UNK 0.0561 24 H7 -5.5327 -3.5301 0.7532 H 1 UNK 0.0252 25 H8 -5.3306 -3.9488 -0.9650 H 1 UNK 0.0252 26 H9 -5.3199 -5.2301 0.2705 H 1 UNK 0.0252 27 H10 1.7183 -2.4420 -2.3223 H 1 UNK 0.0476 28 H11 1.1553 -1.3837 -1.0065 H 1 UNK 0.0476 29 H12 3.5400 -2.4452 -0.3362 H 1 UNK 0.1490 30 H13 2.8204 -4.3913 1.7187 H 1 UNK 0.0493 31 H14 4.9048 -5.0236 -0.4196 H 1 UNK 0.0247 32 H15 4.5686 -6.0073 1.0252 H 1 UNK 0.0247 33 H16 3.3273 -5.8279 -0.2379 H 1 UNK 0.0247 34 H17 4.3340 -2.5033 2.2600 H 1 UNK 0.0247 35 H18 5.1565 -4.0659 2.4839 H 1 UNK 0.0247 36 H19 5.4927 -3.0822 1.0390 H 1 UNK 0.0247 @BOND 1 1 2 1 2 1 17 1 3 1 18 1 4 1 19 1 5 2 3 1 6 2 20 1 7 2 21 1 8 3 4 1 9 4 5 2 10 4 6 1 11 4 9 1 12 6 7 1 13 7 8 1 14 7 22 1 15 7 23 1 16 8 24 1 17 8 25 1 18 8 26 1 19 9 10 1 20 10 11 1 21 10 27 1 22 10 28 1 23 11 12 2 24 11 13 am 25 13 14 1 26 13 29 1 27 14 15 1 28 14 16 1 29 14 30 1 30 15 31 1 31 15 32 1 32 15 33 1 33 16 34 1 34 16 35 1 35 16 36 1