@MOLECULE C8R 57 61 0 0 0 SMALL GASTEIGER @ATOM 1 N -1.2180 0.8440 -0.8780 N.ar 1 UNL1 -0.2680 2 C -2.4800 0.8380 -1.3420 C.ar 1 UNL1 0.1032 3 N -2.9570 -0.0600 -2.2220 N.ar 1 UNL1 -0.2175 4 C -2.1630 -1.0480 -2.7150 C.ar 1 UNL1 0.1707 5 C -0.7630 -1.1460 -2.2750 C.ar 1 UNL1 0.1741 6 C -0.3030 -0.1290 -1.3210 C.ar 1 UNL1 0.2837 7 O 0.9580 -0.1910 -0.8750 O.2 1 UNL1 -0.2651 8 N -0.1870 -2.1970 -2.8920 N.ar 1 UNL1 -0.2074 9 C -1.1740 -2.6920 -3.6460 C.ar 1 UNL1 0.1974 10 N -0.9730 -3.7690 -4.4360 N.pl3 1 UNL1 -0.3287 11 N -2.3490 -2.0590 -3.5590 N.ar 1 UNL1 -0.2672 12 P -4.3270 2.9980 -6.2170 P.3 1 UNL1 0.4835 13 P -4.1400 4.1400 -3.5330 P.3 1 UNL1 0.4835 14 C -3.5810 -2.3360 -4.3020 C.3 1 UNL1 0.1682 15 O -5.7680 3.3900 -6.4200 O.3 1 UNL1 -0.3022 16 O -5.5650 3.6300 -3.3390 O.2 1 UNL1 -0.2269 17 C -0.7980 1.9120 0.0490 C.3 1 UNL1 0.1680 18 C -4.8210 -1.9440 -3.5250 C.3 1 UNL1 0.1286 19 O -5.7460 -3.0130 -3.7070 O.3 1 UNL1 -0.3847 20 O -3.4120 3.1060 -7.4010 O.2 1 UNL1 -0.2269 21 O -3.7730 5.5780 -3.2300 O.3 1 UNL1 -0.3022 22 C 0.5540 2.4120 -0.4530 C.3 1 UNL1 0.1286 23 O 1.4310 2.7130 0.6390 O.3 1 UNL1 -0.3847 24 C -5.3610 -0.7080 -4.2190 C.3 1 UNL1 0.1135 25 O -6.7860 -0.7160 -4.2600 O.3 1 UNL1 -0.3864 26 O -3.6340 3.9150 -5.0590 O.3 1 UNL1 -0.1861 27 C 0.3050 3.6680 -1.2800 C.3 1 UNL1 0.1135 28 O 0.9000 4.8340 -0.6890 O.3 1 UNL1 -0.3864 29 C -4.7890 -0.8470 -5.6140 C.3 1 UNL1 0.1134 30 O -3.4970 -1.4260 -5.4060 O.3 1 UNL1 -0.3456 31 C -1.2060 3.8300 -1.2980 C.3 1 UNL1 0.1134 32 O -1.6870 3.0050 -0.2210 O.3 1 UNL1 -0.3456 33 C -4.7400 0.4620 -6.3920 C.3 1 UNL1 0.0879 34 O -4.2320 1.5290 -5.6000 O.3 1 UNL1 -0.2837 35 C -1.7310 3.4330 -2.6830 C.3 1 UNL1 0.0879 36 O -3.1430 3.1670 -2.7150 O.3 1 UNL1 -0.2837 37 H -3.1540 1.6030 -0.9850 H 1 UNL1 0.1031 38 H -0.0270 -4.0800 -4.3420 H 1 UNL1 0.1451 39 H -1.5940 -4.5040 -4.1620 H 1 UNL1 0.1451 40 H -3.6340 -3.3850 -4.6280 H 1 UNL1 0.0867 41 H -5.8980 3.6650 -7.3200 H 1 UNL1 0.2220 42 H -0.7720 1.5970 1.1030 H 1 UNL1 0.0867 43 H -4.5920 -1.7470 -2.4670 H 1 UNL1 0.0665 44 H -6.5490 -2.8200 -3.2380 H 1 UNL1 0.2101 45 H -4.5430 6.0440 -2.9250 H 1 UNL1 0.2220 46 H 1.0020 1.6420 -1.0990 H 1 UNL1 0.0665 47 H 1.5820 1.9270 1.1500 H 1 UNL1 0.2101 48 H -4.9740 0.2010 -3.7360 H 1 UNL1 0.0647 49 H -7.1290 -0.6280 -3.3780 H 1 UNL1 0.2100 50 H 0.6740 3.5150 -2.3050 H 1 UNL1 0.0647 51 H 1.8450 4.7360 -0.6760 H 1 UNL1 0.2100 52 H -5.4180 -1.5540 -6.1740 H 1 UNL1 0.0647 53 H -1.4570 4.8840 -1.1100 H 1 UNL1 0.0647 54 H -4.0910 0.3300 -7.2700 H 1 UNL1 0.0592 55 H -5.7570 0.7180 -6.7230 H 1 UNL1 0.0592 56 H -1.2000 2.5260 -3.0080 H 1 UNL1 0.0592 57 H -1.5170 4.2540 -3.3830 H 1 UNL1 0.0592 @BOND 1 20 12 2 2 15 12 1 3 33 29 1 4 33 34 1 5 12 34 1 6 12 26 1 7 29 30 1 8 29 24 1 9 30 14 1 10 26 13 1 11 10 9 1 12 14 11 1 13 14 18 1 14 25 24 1 15 24 18 1 16 19 18 1 17 9 11 ar 18 9 8 ar 19 11 4 ar 20 13 16 2 21 13 21 1 22 13 36 1 23 8 5 ar 24 36 35 1 25 4 5 ar 26 4 3 ar 27 35 31 1 28 5 6 ar 29 3 2 ar 30 2 1 ar 31 6 1 ar 32 6 7 2 33 31 27 1 34 31 32 1 35 27 28 1 36 27 22 1 37 1 17 1 38 22 17 1 39 22 23 1 40 32 17 1 41 2 37 1 42 10 38 1 43 10 39 1 44 14 40 1 45 15 41 1 46 17 42 1 47 18 43 1 48 19 44 1 49 21 45 1 50 22 46 1 51 23 47 1 52 24 48 1 53 25 49 1 54 27 50 1 55 28 51 1 56 29 52 1 57 31 53 1 58 33 54 1 59 33 55 1 60 35 56 1 61 35 57 1