@MOLECULE FDBF02045 37 39 0 0 0 SMALL GASTEIGER @ATOM 1 S1 2.4730 0.1520 -0.9860 S.O2 1 FRG1 0.0359 2 O2 2.7430 -0.9590 -1.8790 O.2 1 FRG1 -0.1577 3 O3 1.5150 1.1820 -1.3390 O.2 1 FRG1 -0.1577 4 N1 3.9400 0.8810 -0.5370 N.3 1 FRG1 -0.1808 5 C2 3.9070 1.9420 0.5110 C.3 1 FRG1 0.0202 6 C3 5.0190 1.5740 1.4850 C.3 1 FRG1 -0.0374 7 C4 6.0120 0.8280 0.6150 C.3 1 FRG1 -0.0374 8 C5 5.1040 -0.0090 -0.2720 C.3 1 FRG1 0.0202 9 N1 -3.0380 -2.9370 -0.0850 N.ar 1 FRG1 -0.3604 10 C2 -1.7270 -2.5340 0.0310 C.ar 1 FRG1 0.0467 11 C3 -1.7420 -1.1820 0.3800 C.ar 1 FRG1 0.0029 12 C4 -0.5140 -0.5150 0.5620 C.ar 1 FRG1 -0.0475 13 C5 0.6760 -1.2260 0.3900 C.ar 1 FRG1 -0.0243 14 C6 0.6650 -2.5730 0.0420 C.ar 1 FRG1 -0.0550 15 C7 -0.5410 -3.2560 -0.1440 C.ar 1 FRG1 -0.0375 16 C11 -3.1060 -0.7890 0.4690 C.ar 1 FRG1 -0.0254 17 C12 -3.8790 -1.8890 0.1780 C.ar 1 FRG1 0.0056 18 C1 1.9850 -0.5240 0.5830 C.3 1 FRG1 0.1069 19 C1 -3.6140 0.5550 0.8110 C.3 1 FRG1 -0.0377 20 H 2.9596 1.9493 1.0082 H 1 FRG1 0.0444 21 H 4.0447 2.9188 0.0965 H 1 FRG1 0.0444 22 H 4.6496 0.9468 2.2693 H 1 FRG1 0.0278 23 H 5.4465 2.4247 1.9733 H 1 FRG1 0.0278 24 H 6.6033 1.5050 0.0345 H 1 FRG1 0.0278 25 H 6.7180 0.2484 1.1723 H 1 FRG1 0.0278 26 H 5.5987 -0.2701 -1.1842 H 1 FRG1 0.0444 27 H 4.8199 -0.9337 0.1852 H 1 FRG1 0.0444 28 H -3.3289 -3.8470 -0.3227 H 1 FRG1 0.1653 29 H -0.4942 0.4844 0.8187 H 1 FRG1 0.0627 30 H 1.5585 -3.0747 -0.0805 H 1 FRG1 0.0621 31 H -0.5559 -4.2554 -0.4008 H 1 FRG1 0.0638 32 H -4.9104 -1.9190 0.1609 H 1 FRG1 0.0810 33 H 1.8743 0.2625 1.3000 H 1 FRG1 0.0565 34 H 2.7262 -1.2063 0.9436 H 1 FRG1 0.0565 35 H -4.6839 0.5456 0.7989 H 1 FRG1 0.0278 36 H -3.2554 1.2647 0.0950 H 1 FRG1 0.0278 37 H -3.2707 0.8284 1.7869 H 1 FRG1 0.0278 @BOND 1 2 1 2 2 3 1 2 3 1 4 1 4 1 18 1 5 4 8 1 6 4 5 1 7 8 7 1 8 15 10 ar 9 15 14 ar 10 9 10 ar 11 9 17 ar 12 10 11 ar 13 14 13 ar 14 17 16 ar 15 11 16 ar 16 11 12 ar 17 13 12 ar 18 13 18 1 19 16 19 1 20 5 6 1 21 7 6 1 22 5 20 1 23 5 21 1 24 6 22 1 25 6 23 1 26 7 24 1 27 7 25 1 28 8 26 1 29 8 27 1 30 9 28 1 31 12 29 1 32 14 30 1 33 15 31 1 34 17 32 1 35 18 33 1 36 18 34 1 37 19 35 1 38 19 36 1 39 19 37 1