@MOLECULE FDBF03198 31 33 0 0 0 SMALL GASTEIGER @ATOM 1 O1 2.1520 -2.0470 0.2630 O.2 1 FRG1 -0.2970 2 C2 2.0760 -0.8700 -0.0850 C.2 1 FRG1 0.1441 3 C3 2.7190 0.2450 0.7140 C.3 1 FRG1 0.0462 4 C4 1.7450 1.4250 0.7990 C.3 1 FRG1 -0.0245 5 N5 1.2150 1.8270 -0.5150 N.4 1 FRG1 0.2415 6 C6 0.4820 0.7350 -1.2050 C.3 1 FRG1 0.0120 7 C7 1.4270 -0.4660 -1.3890 C.3 1 FRG1 0.0534 8 C10 -0.8910 0.4450 -0.6000 C.ar 1 FRG1 0.0039 9 C11 -1.5700 1.4660 0.1030 C.ar 1 FRG1 -0.0339 10 C12 -0.9190 2.8020 0.3660 C.3 1 FRG1 0.0132 11 C13 0.3670 3.0220 -0.4310 C.3 1 FRG1 -0.0272 12 C18 -2.8530 1.2300 0.6230 C.ar 1 FRG1 -0.0579 13 C19 -3.4800 0.0030 0.4310 C.ar 1 FRG1 -0.0615 14 C20 -2.8320 -0.9970 -0.2840 C.ar 1 FRG1 -0.0613 15 C21 -1.5530 -0.7760 -0.8010 C.ar 1 FRG1 -0.0530 16 H 3.6207 0.5585 0.2308 H 1 FRG1 0.0394 17 H 2.9507 -0.1036 1.6987 H 1 FRG1 0.0394 18 H 2.2569 2.2597 1.2305 H 1 FRG1 0.0819 19 H 0.9150 1.1135 1.3982 H 1 FRG1 0.0819 20 H 2.0373 2.0512 -1.0754 H 1 FRG1 0.2040 21 H 0.2042 1.0471 -2.1900 H 1 FRG1 0.0908 22 H 0.8658 -1.2942 -1.7685 H 1 FRG1 0.0401 23 H 2.1995 -0.1816 -2.0726 H 1 FRG1 0.0401 24 H -0.6863 2.8659 1.4084 H 1 FRG1 0.0365 25 H -1.6128 3.5560 0.0577 H 1 FRG1 0.0365 26 H 0.1032 3.3206 -1.4240 H 1 FRG1 0.0818 27 H 0.9309 3.7728 0.0821 H 1 FRG1 0.0818 28 H -3.3350 1.9734 1.1523 H 1 FRG1 0.0620 29 H -4.4221 -0.1638 0.8178 H 1 FRG1 0.0618 30 H -3.2971 -1.9060 -0.4336 H 1 FRG1 0.0618 31 H -1.0873 -1.5230 -1.3396 H 1 FRG1 0.0622 @BOND 1 1 2 2 2 2 3 1 3 2 7 1 4 3 4 1 5 4 5 1 6 5 6 1 7 5 11 1 8 6 7 1 9 6 8 1 10 8 9 ar 11 8 15 ar 12 9 10 1 13 9 12 ar 14 10 11 1 15 12 13 ar 16 13 14 ar 17 14 15 ar 18 3 16 1 19 3 17 1 20 4 18 1 21 4 19 1 22 5 20 1 23 6 21 1 24 7 22 1 25 7 23 1 26 10 24 1 27 10 25 1 28 11 26 1 29 11 27 1 30 12 28 1 31 13 29 1 32 14 30 1 33 15 31 1