@MOLECULE FDBD03107 30 30 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0178 1.4608 0.0101 C.3 1 UNK 0.0013 2 N 0.0021 -0.0041 0.0020 N.am 1 UNK -0.3250 3 C1 1.2806 -0.7192 -0.0140 C.3 1 UNK 0.0013 4 C2 -1.1558 -0.6938 0.0094 C.2 1 UNK 0.1134 5 S -2.6499 0.1420 0.0281 S.2 1 UNK -0.0278 6 S1 -1.1319 -2.4556 -0.0003 S.3 1 UNK -0.0533 7 C3 -2.9099 -2.7941 0.0148 C.3 1 UNK 0.0221 8 N1 -3.4707 -2.5264 -1.3162 N.4 1 UNK 0.2462 9 C4 -3.2433 -3.6619 -2.2219 C.3 1 UNK -0.0070 10 C5 -3.7889 -3.3176 -3.6103 C.3 1 UNK 0.0878 11 O -5.1745 -2.9803 -3.5023 O.3 1 UNK -0.3693 12 C6 -5.4323 -1.8780 -2.6283 C.3 1 UNK 0.0878 13 C7 -4.9033 -2.2077 -1.2300 C.3 1 UNK -0.0070 14 H 0.9860 1.8312 0.0025 H 1 UNK 0.0428 15 H1 -0.5186 1.8058 0.8905 H 1 UNK 0.0428 16 H2 -0.5354 1.8153 -0.8567 H 1 UNK 0.0428 17 H3 2.0843 -0.0129 -0.0179 H 1 UNK 0.0428 18 H4 1.3373 -1.3289 -0.8915 H 1 UNK 0.0428 19 H5 1.3540 -1.3382 0.8557 H 1 UNK 0.0428 20 H6 -3.3868 -2.1639 0.7361 H 1 UNK 0.0941 21 H7 -3.0756 -3.8194 0.2720 H 1 UNK 0.0941 22 H8 -2.9883 -1.7138 -1.7002 H 1 UNK 0.2044 23 H9 -3.7470 -4.5270 -1.8442 H 1 UNK 0.0837 24 H10 -2.1946 -3.8635 -2.2883 H 1 UNK 0.0837 25 H11 -3.6757 -4.1615 -4.2584 H 1 UNK 0.0613 26 H12 -3.2477 -2.4869 -4.0127 H 1 UNK 0.0613 27 H13 -6.4862 -1.6996 -2.5790 H 1 UNK 0.0613 28 H14 -4.9419 -1.0028 -3.0003 H 1 UNK 0.0613 29 H15 -5.0440 -1.3645 -0.5865 H 1 UNK 0.0837 30 H16 -5.4346 -3.0479 -0.8342 H 1 UNK 0.0837 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 4 5 2 5 4 6 1 6 6 7 1 7 7 8 1 8 8 13 1 9 8 9 1 10 9 10 1 11 10 11 1 12 11 12 1 13 12 13 1 14 1 14 1 15 1 15 1 16 1 16 1 17 3 17 1 18 3 18 1 19 3 19 1 20 7 20 1 21 7 21 1 22 8 22 1 23 9 23 1 24 9 24 1 25 10 25 1 26 10 26 1 27 12 27 1 28 12 28 1 29 13 29 1 30 13 30 1