@MOLECULE FDBD01851 27 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0178 1.4648 0.0101 C.3 1 UNK -0.0425 2 N 0.0021 -0.0041 0.0020 N.4 1 UNK 0.2385 3 C1 -1.3720 -0.5558 0.1230 C.3 1 UNK -0.0314 4 C2 -1.1684 -1.9979 0.6351 C.3 1 UNK -0.0071 5 C3 0.2040 -1.9832 1.3394 C.3 1 UNK -0.0005 6 C4 0.7141 -0.5334 1.1936 C.3 1 UNK 0.0064 7 C5 2.2040 -0.5208 0.9672 C.ar 1 UNK 0.0182 8 C6 3.0714 -0.2581 2.0168 C.ar 1 UNK -0.0504 9 C7 4.4341 -0.2568 1.7620 C.ar 1 UNK -0.0431 10 C8 4.8797 -0.5156 0.4794 C.ar 1 UNK 0.0276 11 N1 4.0256 -0.7610 -0.4947 N.ar 1 UNK -0.2628 12 C9 2.7232 -0.7764 -0.2876 C.ar 1 UNK 0.0360 13 H 0.9820 1.8355 -0.0781 H 1 UNK 0.0778 14 H1 -0.4468 1.8106 0.9273 H 1 UNK 0.0778 15 H2 -0.6031 1.8181 -0.8130 H 1 UNK 0.0778 16 H3 0.4538 -0.2719 -0.8725 H 1 UNK 0.2037 17 H4 -1.8632 -0.5582 -0.8276 H 1 UNK 0.0814 18 H5 -1.9863 0.0250 0.7789 H 1 UNK 0.0814 19 H6 -1.1645 -2.6896 -0.1813 H 1 UNK 0.0319 20 H7 -1.9541 -2.3046 1.2935 H 1 UNK 0.0319 21 H8 0.8766 -2.6677 0.8661 H 1 UNK 0.0325 22 H9 0.1324 -2.2823 2.3642 H 1 UNK 0.0325 23 H10 0.5314 0.0532 2.0696 H 1 UNK 0.0904 24 H11 2.7111 -0.0681 2.9650 H 1 UNK 0.0623 25 H12 5.1073 -0.0650 2.5203 H 1 UNK 0.0633 26 H13 5.8926 -0.5168 0.2819 H 1 UNK 0.0829 27 H14 2.0845 -0.9817 -1.0717 H 1 UNK 0.0834 @BOND 1 1 2 1 2 2 6 1 3 2 3 1 4 3 4 1 5 4 5 1 6 5 6 1 7 6 7 1 8 7 12 ar 9 7 8 ar 10 8 9 ar 11 9 10 ar 12 10 11 ar 13 11 12 ar 14 1 13 1 15 1 14 1 16 1 15 1 17 2 16 1 18 3 17 1 19 3 18 1 20 4 19 1 21 4 20 1 22 5 21 1 23 5 22 1 24 6 23 1 25 8 24 1 26 9 25 1 27 10 26 1 28 12 27 1