@MOLECULE FDBD02147 40 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5258 0.0104 C.3 1 UNK -0.0410 2 C1 0.0021 -0.0041 0.0020 C.3 1 UNK 0.0548 3 O 0.6932 -0.4774 1.1597 O.3 1 UNK -0.3020 4 P 0.9059 -2.0418 1.4755 P.3 1 UNK 0.3615 5 S -0.6918 -2.9565 1.1868 S.2 1 UNK 0.0363 6 O1 2.0465 -2.6347 0.5062 O.3 1 UNK -0.3020 7 C2 2.2538 -4.0355 0.3144 C.3 1 UNK 0.0548 8 C3 3.4104 -4.2506 -0.6639 C.3 1 UNK -0.0410 9 O2 1.3582 -2.2229 3.0100 O.3 1 UNK -0.4230 10 C4 1.2543 -3.4976 3.4702 C.ar 1 UNK 0.1656 11 C5 0.0792 -3.9487 4.0623 C.ar 1 UNK 0.0732 12 N 0.0176 -5.1963 4.4977 N.ar 1 UNK -0.2361 13 C6 1.0496 -6.0068 4.3763 C.ar 1 UNK 0.1345 14 C7 0.9344 -7.4201 4.8866 C.3 1 UNK 0.0220 15 C8 -0.2025 -8.1356 4.1543 C.3 1 UNK -0.0531 16 C9 2.2490 -8.1616 4.6360 C.3 1 UNK -0.0531 17 C10 0.6397 -7.3978 6.3878 C.3 1 UNK -0.0531 18 N1 2.1795 -5.6170 3.8211 N.ar 1 UNK -0.2361 19 C11 2.3182 -4.3862 3.3561 C.ar 1 UNK 0.0732 20 H -0.5362 1.8802 -0.8565 H 1 UNK 0.0252 21 H1 0.9851 1.8962 0.0028 H 1 UNK 0.0252 22 H2 -0.5196 1.8709 0.8907 H 1 UNK 0.0252 23 H3 0.5030 -0.3492 -0.8783 H 1 UNK 0.0562 24 H4 -1.0017 -0.3745 0.0096 H 1 UNK 0.0562 25 H5 1.3637 -4.4767 -0.0831 H 1 UNK 0.0562 26 H6 2.4903 -4.4928 1.2524 H 1 UNK 0.0562 27 H7 3.1739 -3.7933 -1.6019 H 1 UNK 0.0252 28 H8 3.5656 -5.2995 -0.8076 H 1 UNK 0.0252 29 H9 4.3005 -3.8095 -0.2664 H 1 UNK 0.0252 30 H10 -0.7327 -3.3193 4.1605 H 1 UNK 0.0868 31 H11 0.0036 -8.1512 3.1044 H 1 UNK 0.0239 32 H12 -1.1218 -7.6170 4.3296 H 1 UNK 0.0239 33 H13 -0.2844 -9.1390 4.5167 H 1 UNK 0.0239 34 H14 2.4551 -8.1772 3.5862 H 1 UNK 0.0239 35 H15 2.1672 -9.1650 4.9984 H 1 UNK 0.0239 36 H16 3.0440 -7.6611 5.1482 H 1 UNK 0.0239 37 H17 -0.2797 -6.8792 6.5631 H 1 UNK 0.0239 38 H18 1.4348 -6.8973 6.9000 H 1 UNK 0.0239 39 H19 0.5579 -8.4012 6.7502 H 1 UNK 0.0239 40 H20 3.2029 -4.0898 2.9151 H 1 UNK 0.0868 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 2 5 4 6 1 6 4 9 1 7 6 7 1 8 7 8 1 9 9 10 1 10 10 19 ar 11 10 11 ar 12 11 12 ar 13 12 13 ar 14 13 14 1 15 13 18 ar 16 14 15 1 17 14 16 1 18 14 17 1 19 18 19 ar 20 1 20 1 21 1 21 1 22 1 22 1 23 2 23 1 24 2 24 1 25 7 25 1 26 7 26 1 27 8 27 1 28 8 28 1 29 8 29 1 30 11 30 1 31 15 31 1 32 15 32 1 33 15 33 1 34 16 34 1 35 16 35 1 36 16 36 1 37 17 37 1 38 17 38 1 39 17 39 1 40 19 40 1