@MOLECULE FDBF00561 29 30 0 0 0 SMALL GASTEIGER @ATOM 1 C1 3.5680 -0.5080 -0.7750 C.3 1 FRG1 -0.0449 2 C1 1.2920 -0.5730 -0.0090 C.3 1 FRG1 -0.0298 3 C1 0.3150 -0.2400 1.1290 C.3 1 FRG1 0.0129 4 O1 -3.5620 2.7900 -1.4850 O.2 1 FRG1 -0.2751 5 C2 -3.2230 1.7530 -0.9370 C.2 1 FRG1 0.2216 6 N3 -3.9980 0.6060 -0.7320 N.am 1 FRG1 -0.2850 7 C4 -3.2710 -0.3780 -0.0700 C.ar 1 FRG1 0.0373 8 C5 -1.9840 0.0850 0.1880 C.ar 1 FRG1 -0.0141 9 C6 -1.0660 -0.7150 0.8410 C.ar 1 FRG1 -0.0370 10 C7 -1.4720 -1.9950 1.2300 C.ar 1 FRG1 -0.0580 11 C8 -2.7770 -2.4520 0.9630 C.ar 1 FRG1 -0.0597 12 C9 -3.6980 -1.6360 0.3030 C.ar 1 FRG1 -0.0402 13 C13 -1.8380 1.4780 -0.3380 C.3 1 FRG1 0.0514 14 N1 2.6470 -0.1270 0.2960 N.4 1 FRG1 0.2250 15 H 4.5548 -0.1725 -0.5330 H 1 FRG1 0.0777 16 H 3.2533 -0.0575 -1.6931 H 1 FRG1 0.0777 17 H 3.5695 -1.5726 -0.8822 H 1 FRG1 0.0777 18 H 1.3011 -1.6323 -0.1594 H 1 FRG1 0.0817 19 H 0.9635 -0.0635 -0.8907 H 1 FRG1 0.0817 20 H 0.2931 0.8211 1.2650 H 1 FRG1 0.0365 21 H 0.6566 -0.7387 2.0119 H 1 FRG1 0.0365 22 H -4.9348 0.5083 -1.0187 H 1 FRG1 0.1548 23 H -0.8063 -2.6133 1.7195 H 1 FRG1 0.0620 24 H -3.0558 -3.4007 1.2585 H 1 FRG1 0.0618 25 H -4.6571 -1.9599 0.1027 H 1 FRG1 0.0636 26 H -1.6133 2.1671 0.4491 H 1 FRG1 0.0408 27 H -1.0394 1.5869 -1.0418 H 1 FRG1 0.0408 28 H 2.6512 0.8880 0.3964 H 1 FRG1 0.2011 29 H 2.9510 -0.5687 1.1637 H 1 FRG1 0.2011 @BOND 1 4 5 2 2 5 6 am 3 5 13 1 4 1 14 1 5 6 7 1 6 13 8 1 7 7 8 ar 8 7 12 ar 9 2 14 1 10 2 3 1 11 8 9 ar 12 12 11 ar 13 9 3 1 14 9 10 ar 15 11 10 ar 16 1 15 1 17 1 16 1 18 1 17 1 19 2 18 1 20 2 19 1 21 3 20 1 22 3 21 1 23 6 22 1 24 10 23 1 25 11 24 1 26 12 25 1 27 13 26 1 28 13 27 1 29 14 28 1 30 14 29 1