@MOLECULE FDBF03212 29 30 0 0 0 SMALL GASTEIGER @ATOM 1 S1 -1.5030 -2.4650 0.6940 S.O2 1 FRG1 0.0403 2 O2 -1.8400 -3.3490 -0.4050 O.2 1 FRG1 -0.1555 3 O3 -2.4160 -1.4020 1.0640 O.2 1 FRG1 -0.1555 4 C4 -1.1630 -3.4570 2.1580 C.3 1 FRG1 0.0736 5 O1 4.4460 -4.6820 -0.8750 O.2 1 FRG1 -0.4597 6 C2 5.2790 -3.5950 -0.9840 C.ar 1 FRG1 0.1061 7 C3 4.6570 -2.3810 -0.6820 C.ar 1 FRG1 -0.0129 8 C4 3.3370 -2.7210 -0.4240 C.ar 1 FRG1 0.0222 9 C5 3.2540 -4.1010 -0.5440 C.ar 1 FRG1 0.1353 10 C6 2.0360 -4.7480 -0.3310 C.ar 1 FRG1 -0.0170 11 C7 0.9240 -3.9640 -0.0040 C.ar 1 FRG1 -0.0358 12 C8 1.0150 -2.5700 0.1130 C.ar 1 FRG1 0.0485 13 C9 2.2390 -1.9250 -0.0970 C.ar 1 FRG1 -0.0286 14 C1 7.4680 -4.6680 -0.4300 C.3 1 FRG1 -0.0584 15 N1 -0.0690 -1.8250 0.4280 N.pl3 1 FRG1 -0.2209 16 C1 6.7320 -3.7450 -1.4190 C.3 1 FRG1 0.0027 17 H -0.4893 -4.2485 1.9039 H 1 FRG1 0.0482 18 H -2.0773 -3.8718 2.5280 H 1 FRG1 0.0482 19 H -0.7204 -2.8401 2.9120 H 1 FRG1 0.0482 20 H 5.0839 -1.4418 -0.6565 H 1 FRG1 0.0658 21 H 1.9577 -5.7738 -0.4122 H 1 FRG1 0.0655 22 H 0.0138 -4.4237 0.1551 H 1 FRG1 0.0638 23 H 2.3260 -0.9001 -0.0132 H 1 FRG1 0.0643 24 H 8.4885 -4.7747 -0.7336 H 1 FRG1 0.0234 25 H 6.9965 -5.6285 -0.4201 H 1 FRG1 0.0234 26 H 7.4304 -4.2421 0.5509 H 1 FRG1 0.0234 27 H 0.0324 -0.8481 0.4956 H 1 FRG1 0.1733 28 H 7.2029 -2.7842 -1.4290 H 1 FRG1 0.0341 29 H 6.7698 -4.1694 -2.4005 H 1 FRG1 0.0341 @BOND 1 16 6 1 2 16 14 1 3 6 5 ar 4 6 7 ar 5 5 9 ar 6 7 8 ar 7 9 8 ar 8 9 10 ar 9 8 13 ar 10 2 1 2 11 10 11 ar 12 13 12 ar 13 11 12 ar 14 12 15 1 15 15 1 1 16 1 3 2 17 1 4 1 18 4 17 1 19 4 18 1 20 4 19 1 21 7 20 1 22 10 21 1 23 11 22 1 24 13 23 1 25 14 24 1 26 14 25 1 27 14 26 1 28 15 27 1 29 16 28 1 30 16 29 1