@MOLECULE FDBD02079 32 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.5037 -8.9441 -1.2874 C.3 1 UNK -0.0306 2 C1 0.1274 -8.4257 -0.8657 C.3 1 UNK 0.0897 3 O 0.0764 -6.9859 -1.0463 O.3 1 UNK -0.4643 4 C2 -1.0973 -6.3823 -0.8018 C.2 1 UNK 0.3175 5 O1 -2.0740 -7.0438 -0.5402 O.2 1 UNK -0.2499 6 C3 -1.1970 -4.8795 -0.8537 C.3 1 UNK 0.0995 7 S -2.8465 -4.3635 -0.3027 S.3 1 UNK -0.0626 8 P -2.7466 -4.6130 1.8001 P.3 1 UNK 0.2297 9 S1 -4.3129 -3.9683 2.5773 S.2 1 UNK 0.0032 10 O2 -2.5790 -6.1761 2.1478 O.3 1 UNK -0.3236 11 C4 -3.6533 -7.1137 2.0542 C.3 1 UNK 0.0525 12 C5 -3.1534 -8.5035 2.4535 C.3 1 UNK -0.0411 13 O3 -1.4852 -3.7964 2.3782 O.3 1 UNK -0.3236 14 C6 -1.1818 -2.4553 1.9891 C.3 1 UNK 0.0525 15 C7 0.1361 -2.0227 2.6349 C.3 1 UNK -0.0411 16 H 1.5413 -10.0051 -1.1543 H 1 UNK 0.0262 17 H1 2.2585 -8.4822 -0.6858 H 1 UNK 0.0262 18 H2 1.6738 -8.7075 -2.3170 H 1 UNK 0.0262 19 H3 -0.0427 -8.6623 0.1639 H 1 UNK 0.0694 20 H4 -0.6274 -8.8876 -1.4672 H 1 UNK 0.0694 21 H5 -1.0357 -4.5458 -1.8575 H 1 UNK 0.0495 22 H6 -0.4562 -4.4505 -0.2118 H 1 UNK 0.0495 23 H7 -4.0165 -7.1407 1.0481 H 1 UNK 0.0561 24 H8 -4.4441 -6.8168 2.7110 H 1 UNK 0.0561 25 H9 -2.3626 -8.8004 1.7967 H 1 UNK 0.0252 26 H10 -3.9578 -9.2056 2.3834 H 1 UNK 0.0252 27 H11 -2.7902 -8.4765 3.4596 H 1 UNK 0.0252 28 H12 -1.9674 -1.8041 2.3111 H 1 UNK 0.0561 29 H13 -1.0906 -2.4048 0.9242 H 1 UNK 0.0561 30 H14 0.0449 -2.0732 3.6998 H 1 UNK 0.0252 31 H15 0.3633 -1.0185 2.3436 H 1 UNK 0.0252 32 H16 0.9217 -2.6739 2.3129 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 6 7 1 7 7 8 1 8 8 9 2 9 8 10 1 10 8 13 1 11 10 11 1 12 11 12 1 13 13 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 6 21 1 21 6 22 1 22 11 23 1 23 11 24 1 24 12 25 1 25 12 26 1 26 12 27 1 27 14 28 1 28 14 29 1 29 15 30 1 30 15 31 1 31 15 32 1