@MOLECULE FDBF02114 38 40 0 0 0 SMALL GASTEIGER @ATOM 1 C1 -4.5840 0.4600 0.1290 C.3 1 FRG1 0.0333 2 C2 -5.9940 0.4370 0.6920 C.ar 1 FRG1 0.0126 3 C3 -6.6490 -0.7610 0.3270 C.ar 1 FRG1 -0.0086 4 C4 -5.7430 -1.5650 -0.4650 C.ar 1 FRG1 -0.0086 5 C5 -4.5180 -0.8720 -0.5980 C.ar 1 FRG1 0.0126 6 C6 -3.4640 -1.4050 -1.3200 C.ar 1 FRG1 -0.0523 7 C7 -3.6390 -2.6570 -1.9120 C.ar 1 FRG1 -0.0613 8 C8 -4.8530 -3.3520 -1.7790 C.ar 1 FRG1 -0.0612 9 C9 -5.9160 -2.8080 -1.0520 C.ar 1 FRG1 -0.0536 10 C14 -7.9530 -1.0010 0.7290 C.ar 1 FRG1 -0.0536 11 C15 -8.6000 -0.0290 1.4970 C.ar 1 FRG1 -0.0612 12 C16 -7.9460 1.1630 1.8530 C.ar 1 FRG1 -0.0613 13 C17 -6.6320 1.4050 1.4490 C.ar 1 FRG1 -0.0523 14 N1 -4.3250 1.6260 -0.7580 N.4 1 FRG1 0.2475 15 C4 -4.5210 2.9420 0.0060 C.3 1 FRG1 -0.0406 16 C8 -5.2830 1.6190 -1.9560 C.3 1 FRG1 -0.0406 17 C1 -1.9190 1.6010 -0.1190 C.3 1 FRG1 -0.0244 18 C1 -2.8880 1.5910 -1.2920 C.3 1 FRG1 -0.0326 19 H -3.8281 0.5752 0.8775 H 1 FRG1 0.0958 20 H -2.5742 -0.8914 -1.4178 H 1 FRG1 0.0623 21 H -2.8676 -3.0771 -2.4538 H 1 FRG1 0.0618 22 H -4.9614 -4.2767 -2.2241 H 1 FRG1 0.0618 23 H -6.8071 -3.3194 -0.9550 H 1 FRG1 0.0624 24 H -8.4345 -1.8756 0.4679 H 1 FRG1 0.0624 25 H -9.5713 -0.1887 1.8070 H 1 FRG1 0.0618 26 H -8.4432 1.8677 2.4198 H 1 FRG1 0.0618 27 H -6.1499 2.2802 1.7071 H 1 FRG1 0.0623 28 H -4.3302 3.7664 -0.6489 H 1 FRG1 0.0778 29 H -3.8428 2.9789 0.8328 H 1 FRG1 0.0778 30 H -5.5267 2.9985 0.3669 H 1 FRG1 0.0778 31 H -5.0801 2.4643 -2.5799 H 1 FRG1 0.0778 32 H -6.2928 1.6686 -1.6055 H 1 FRG1 0.0778 33 H -5.1444 0.7192 -2.5182 H 1 FRG1 0.0778 34 H -0.9143 1.5767 -0.4862 H 1 FRG1 0.0281 35 H -2.0948 0.7434 0.4962 H 1 FRG1 0.0281 36 H -2.0665 2.4900 0.4579 H 1 FRG1 0.0281 37 H -2.7138 2.4487 -1.9076 H 1 FRG1 0.0812 38 H -2.7413 0.7042 -1.8724 H 1 FRG1 0.0812 @BOND 1 16 14 1 2 7 8 ar 3 7 6 ar 4 8 9 ar 5 6 5 ar 6 18 14 1 7 18 17 1 8 9 4 ar 9 14 15 1 10 14 1 1 11 5 4 ar 12 5 1 1 13 4 3 1 14 1 2 1 15 3 2 ar 16 3 10 ar 17 2 13 ar 18 10 11 ar 19 13 12 ar 20 11 12 ar 21 1 19 1 22 6 20 1 23 7 21 1 24 8 22 1 25 9 23 1 26 10 24 1 27 11 25 1 28 12 26 1 29 13 27 1 30 15 28 1 31 15 29 1 32 15 30 1 33 16 31 1 34 16 32 1 35 16 33 1 36 17 34 1 37 17 35 1 38 17 36 1 39 18 37 1 40 18 38 1