@MOLECULE FDBD02931 28 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.6815 1.3870 0.0262 C.3 1 UNK -0.0211 2 C1 -0.3970 -0.0927 0.0048 C.ar 1 UNK 0.0578 3 C2 -0.1951 -0.7881 -1.1427 C.ar 1 UNK 0.0967 4 C3 -0.2188 -0.2387 -2.5022 C.2 1 UNK 0.2567 5 O -0.4352 0.9463 -2.6759 O.2 1 UNK -0.2692 6 N -0.0009 -1.0460 -3.5591 N.am 1 UNK -0.2810 7 C4 -0.1195 -0.5437 -4.8588 C.ar 1 UNK 0.0337 8 C5 -0.6300 -1.3460 -5.8712 C.ar 1 UNK -0.0405 9 C6 -0.7463 -0.8468 -7.1536 C.ar 1 UNK -0.0600 10 C7 -0.3552 0.4505 -7.4302 C.ar 1 UNK -0.0616 11 C8 0.1539 1.2518 -6.4247 C.ar 1 UNK -0.0600 12 C9 0.2675 0.7605 -5.1390 C.ar 1 UNK -0.0405 13 S 0.1012 -2.4694 -0.7065 S.2 1 UNK -0.0675 14 C10 -0.0723 -2.0804 0.9491 C.ar 1 UNK 0.0762 15 C11 0.0496 -3.0669 2.0818 C.3 1 UNK -0.0159 16 N1 -0.3177 -0.8177 1.0924 N.ar 1 UNK -0.2487 17 H 0.2578 1.9367 0.0870 H 1 UNK 0.0293 18 H1 -1.2091 1.6688 -0.8850 H 1 UNK 0.0293 19 H2 -1.2989 1.6258 0.8921 H 1 UNK 0.0293 20 H3 0.2382 -1.9754 -3.4183 H 1 UNK 0.1551 21 H4 -0.9353 -2.3594 -5.6558 H 1 UNK 0.0636 22 H5 -1.1428 -1.4702 -7.9412 H 1 UNK 0.0618 23 H6 -0.4472 0.8385 -8.4339 H 1 UNK 0.0618 24 H7 0.4591 2.2642 -6.6442 H 1 UNK 0.0618 25 H8 0.6647 1.3869 -4.3540 H 1 UNK 0.0636 26 H9 0.2634 -4.0572 1.6797 H 1 UNK 0.0298 27 H10 0.8594 -2.7612 2.7443 H 1 UNK 0.0298 28 H11 -0.8858 -3.0958 2.6407 H 1 UNK 0.0298 @BOND 1 1 2 1 2 1 17 1 3 1 18 1 4 1 19 1 5 2 16 ar 6 2 3 ar 7 3 4 1 8 3 13 ar 9 4 5 2 10 4 6 am 11 6 7 1 12 6 20 1 13 7 12 ar 14 7 8 ar 15 8 9 ar 16 8 21 1 17 9 10 ar 18 9 22 1 19 10 11 ar 20 10 23 1 21 11 12 ar 22 11 24 1 23 12 25 1 24 13 14 ar 25 14 15 1 26 14 16 ar 27 15 26 1 28 15 27 1 29 15 28 1