@MOLECULE FDBD02955 31 31 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0352 1.5115 0.0159 C.3 1 UNK -0.0362 2 C1 -0.0010 0.0049 0.0068 C.ar 1 UNK -0.0060 3 C2 0.0160 -0.6626 -1.1793 C.ar 1 UNK -0.0291 4 C3 0.0491 -2.1255 -1.1849 C.ar 1 UNK 0.0754 5 C4 0.0628 -2.8195 0.0509 C.ar 1 UNK -0.0199 6 C5 0.0447 -2.1008 1.2354 C.ar 1 UNK 0.0807 7 C6 0.0186 -0.6937 1.2140 C.ar 1 UNK 0.1352 8 O 0.0016 -0.0091 2.3811 O.3 1 UNK -0.4941 9 C7 1.2665 0.3428 2.9453 C.3 1 UNK 0.0788 10 C8 0.0588 -2.8151 2.5277 C.2 1 UNK 0.2497 11 O1 -0.7985 -2.5855 3.3586 O.2 1 UNK -0.2699 12 N 1.0220 -3.7217 2.7861 N.am 1 UNK -0.3035 13 C9 1.0952 -4.3573 4.1040 C.3 1 UNK 0.0032 14 C10 1.9958 -4.0716 1.7490 C.3 1 UNK 0.0032 15 N1 0.0656 -2.7926 -2.3300 N.2 1 UNK -0.1973 16 C11 0.0529 -2.1720 -3.4150 C.1 1 UNK 0.0414 17 S 0.0371 -1.4008 -4.7635 S.2 1 UNK 0.0207 18 H -0.0447 1.8619 1.0268 H 1 UNK 0.0279 19 H1 -0.9160 1.8513 -0.4877 H 1 UNK 0.0279 20 H2 0.8308 1.8910 -0.4850 H 1 UNK 0.0279 21 H3 0.0056 -0.1401 -2.0692 H 1 UNK 0.0643 22 H4 0.0861 -3.8511 0.0683 H 1 UNK 0.0648 23 H5 1.1130 0.8769 3.8597 H 1 UNK 0.0660 24 H6 1.8044 0.9609 2.2572 H 1 UNK 0.0660 25 H7 1.8292 -0.5459 3.1414 H 1 UNK 0.0660 26 H8 0.3096 -3.9811 4.7255 H 1 UNK 0.0428 27 H9 2.0413 -4.1386 4.5534 H 1 UNK 0.0428 28 H10 0.9881 -5.4164 3.9956 H 1 UNK 0.0428 29 H11 1.7875 -3.5123 0.8609 H 1 UNK 0.0428 30 H12 1.9290 -5.1179 1.5354 H 1 UNK 0.0428 31 H13 2.9821 -3.8401 2.0932 H 1 UNK 0.0428 @BOND 1 1 2 1 2 2 7 ar 3 2 3 ar 4 3 4 ar 5 4 5 ar 6 4 15 1 7 5 6 ar 8 6 7 ar 9 6 10 1 10 7 8 1 11 8 9 1 12 10 11 2 13 10 12 am 14 12 13 1 15 12 14 1 16 15 16 2 17 16 17 2 18 1 18 1 19 1 19 1 20 1 20 1 21 3 21 1 22 5 22 1 23 9 23 1 24 9 24 1 25 9 25 1 26 13 26 1 27 13 27 1 28 13 28 1 29 14 29 1 30 14 30 1 31 14 31 1