@MOLECULE FDBD02095 41 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.4395 -1.3209 6.1463 C.3 1 UNK -0.0411 2 C1 1.2818 -0.9970 5.1999 C.3 1 UNK 0.0525 3 O 1.6128 -1.4268 3.8779 O.3 1 UNK -0.3236 4 P 0.6217 -1.2439 2.6223 P.3 1 UNK 0.2299 5 S -0.0973 0.4752 2.6439 S.2 1 UNK 0.0032 6 O1 1.4416 -1.4655 1.2546 O.3 1 UNK -0.3236 7 C2 0.8066 -1.6751 -0.0083 C.3 1 UNK 0.0525 8 C3 1.8666 -1.7225 -1.1105 C.3 1 UNK -0.0411 9 S1 -0.9450 -2.6668 2.7455 S.3 1 UNK -0.0626 10 C4 -0.0765 -4.2476 2.5526 C.3 1 UNK 0.0568 11 S2 0.8007 -4.6471 4.0893 S.3 1 UNK -0.0626 12 P1 -0.7553 -5.3069 5.3690 P.3 1 UNK 0.2299 13 S3 -2.1105 -4.0284 5.4094 S.2 1 UNK 0.0032 14 O2 -1.3476 -6.6996 4.8199 O.3 1 UNK -0.3236 15 C5 -2.1801 -6.7887 3.6619 C.3 1 UNK 0.0525 16 C6 -2.6196 -8.2403 3.4602 C.3 1 UNK -0.0411 17 O3 -0.1739 -5.5197 6.8552 O.3 1 UNK -0.3236 18 C7 0.6928 -4.5800 7.4939 C.3 1 UNK 0.0525 19 C8 1.1477 -5.1408 8.8428 C.3 1 UNK -0.0411 20 H 2.1917 -0.9991 7.1362 H 1 UNK 0.0252 21 H1 3.3221 -0.8136 5.8168 H 1 UNK 0.0252 22 H2 2.6144 -2.3765 6.1477 H 1 UNK 0.0252 23 H3 1.1069 0.0586 5.1985 H 1 UNK 0.0561 24 H4 0.3992 -1.5043 5.5294 H 1 UNK 0.0561 25 H5 0.1256 -0.8730 -0.2026 H 1 UNK 0.0561 26 H6 0.2707 -2.6010 0.0112 H 1 UNK 0.0561 27 H7 2.4025 -0.7966 -1.1301 H 1 UNK 0.0252 28 H8 1.3911 -1.8795 -2.0561 H 1 UNK 0.0252 29 H9 2.5476 -2.5246 -0.9162 H 1 UNK 0.0252 30 H10 0.6268 -4.1725 1.7497 H 1 UNK 0.0499 31 H11 -0.7849 -5.0195 2.3353 H 1 UNK 0.0499 32 H12 -1.6333 -6.4590 2.8033 H 1 UNK 0.0561 33 H13 -3.0429 -6.1699 3.7945 H 1 UNK 0.0561 34 H14 -1.7568 -8.8591 3.3276 H 1 UNK 0.0252 35 H15 -3.2430 -8.3070 2.5931 H 1 UNK 0.0252 36 H16 -3.1664 -8.5700 4.3188 H 1 UNK 0.0252 37 H17 0.1692 -3.6598 7.6485 H 1 UNK 0.0561 38 H18 1.5472 -4.4044 6.8742 H 1 UNK 0.0561 39 H19 0.2933 -5.3164 9.4625 H 1 UNK 0.0252 40 H20 1.7966 -4.4372 9.3210 H 1 UNK 0.0252 41 H21 1.6713 -6.0610 8.6882 H 1 UNK 0.0252 @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 11 1 11 11 12 1 12 12 13 2 13 12 14 1 14 12 17 1 15 14 15 1 16 15 16 1 17 17 18 1 18 18 19 1 19 1 20 1 20 1 21 1 21 1 22 1 22 2 23 1 23 2 24 1 24 7 25 1 25 7 26 1 26 8 27 1 27 8 28 1 28 8 29 1 29 10 30 1 30 10 31 1 31 15 32 1 32 15 33 1 33 16 34 1 34 16 35 1 35 16 36 1 36 18 37 1 37 18 38 1 38 19 39 1 39 19 40 1 40 19 41 1