| OpenBabel03282415433D | |
| 75 82 0 0 0 0 0 0 0 0999 V2000 | |
| -2.1610 -0.1250 0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.4580 -3.4190 0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7010 0.1690 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0750 3.4600 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.4360 -1.3050 0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0150 -2.5870 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.0090 -3.5000 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 0.2160 -2.8030 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.1750 -4.9960 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.4900 -2.8930 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.9980 -2.9260 -1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -5.4730 -3.2320 -1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0590 -3.4050 -0.0940 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.1370 -3.3110 -2.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.6640 -2.7070 0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.9370 -3.3280 0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.8740 -2.3410 0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.1170 -1.0790 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2030 -4.7980 0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.3390 -2.4970 0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.9350 -3.4190 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.9640 1.3450 -0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.5310 2.6010 -0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.5100 3.5360 -0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.3040 2.8460 -0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.9910 2.8800 -0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.6490 4.9810 -0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2010 5.4070 -1.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.1020 2.7530 0.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.3820 3.3880 0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.2830 2.3890 0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.5610 1.1370 0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.6390 4.8630 0.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.7410 2.5320 1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.5730 2.5630 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.0320 2.7060 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.3720 2.7760 1.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -6.9540 2.7550 -0.7850 O 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.0680 -1.4560 0.3210 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 2.8200 -1.3860 0.2070 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 2.6040 1.5060 -0.0330 N 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.2760 1.4310 0.2980 N 0 0 0 0 0 4 0 0 0 0 0 0 | |
| 1.0100 0.1570 -0.0600 Fe 0 0 1 0 0 0 0 0 0 0 0 0 | |
| 1.4980 -4.5080 0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 5.7860 0.2290 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1.0180 4.5430 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.2200 -5.3060 -0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.3280 -5.4800 0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.0970 -5.2850 0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.6620 -3.8620 0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.0240 -2.1210 0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.8250 -1.9560 -1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.4640 -3.6970 -1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.2560 -5.3360 0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7940 -5.1750 -0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.7520 -4.9480 1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.9270 -1.8630 1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 7.9940 -3.6000 -0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.3600 -3.9870 -1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.5540 1.9490 -0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.1100 3.3160 -1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 6.3620 3.5780 0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 3.3030 5.6940 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.6140 4.6960 -2.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 4.2350 6.4640 -2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -0.7150 5.4150 0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -2.3940 5.1850 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -1.9940 5.0550 1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.0520 1.6870 1.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.8930 3.4590 1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.2620 3.4080 -0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -4.4210 1.6360 -0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.0820 -3.5100 -2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -7.8770 2.8470 -0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| -3.2460 -0.1880 0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 | |
| 1 5 1 0 0 0 0 | |
| 1 32 2 0 0 0 0 | |
| 1 75 1 0 0 0 0 | |
| 2 8 1 0 0 0 0 | |
| 2 15 2 0 0 0 0 | |
| 2 44 1 0 0 0 0 | |
| 3 18 1 0 0 0 0 | |
| 3 22 2 0 0 0 0 | |
| 3 45 1 0 0 0 0 | |
| 4 25 2 0 0 0 0 | |
| 4 29 1 0 0 0 0 | |
| 4 46 1 0 0 0 0 | |
| 5 6 2 0 0 0 0 | |
| 5 39 1 0 0 0 0 | |
| 6 7 1 0 0 0 0 | |
| 6 10 1 0 0 0 0 | |
| 7 8 2 0 0 0 0 | |
| 7 9 1 0 0 0 0 | |
| 8 39 1 0 0 0 0 | |
| 9 47 1 0 0 0 0 | |
| 9 48 1 0 0 0 0 | |
| 9 49 1 0 0 0 0 | |
| 10 11 1 0 0 0 0 | |
| 10 50 1 0 0 0 0 | |
| 10 51 1 0 0 0 0 | |
| 11 12 1 0 0 0 0 | |
| 11 52 1 0 0 0 0 | |
| 11 53 1 0 0 0 0 | |
| 12 13 2 0 0 0 0 | |
| 12 14 1 0 0 0 0 | |
| 14 73 1 0 0 0 0 | |
| 15 16 1 0 0 0 0 | |
| 15 40 1 0 0 0 0 | |
| 16 17 2 0 0 0 0 | |
| 16 19 1 0 0 0 0 | |
| 17 18 1 0 0 0 0 | |
| 17 20 1 0 0 0 0 | |
| 18 40 2 0 0 0 0 | |
| 19 54 1 0 0 0 0 | |
| 19 55 1 0 0 0 0 | |
| 19 56 1 0 0 0 0 | |
| 20 21 2 0 0 0 0 | |
| 20 57 1 0 0 0 0 | |
| 21 58 1 0 0 0 0 | |
| 21 59 1 0 0 0 0 | |
| 22 23 1 0 0 0 0 | |
| 22 41 1 0 0 0 0 | |
| 23 24 2 0 0 0 0 | |
| 23 26 1 0 0 0 0 | |
| 24 25 1 0 0 0 0 | |
| 24 27 1 0 0 0 0 | |
| 25 41 1 0 0 0 0 | |
| 26 60 1 0 0 0 0 | |
| 26 61 1 0 0 0 0 | |
| 26 62 1 0 0 0 0 | |
| 27 28 2 0 0 0 0 | |
| 27 63 1 0 0 0 0 | |
| 28 64 1 0 0 0 0 | |
| 28 65 1 0 0 0 0 | |
| 29 30 1 0 0 0 0 | |
| 29 42 2 0 0 0 0 | |
| 30 31 2 0 0 0 0 | |
| 30 33 1 0 0 0 0 | |
| 31 32 1 0 0 0 0 | |
| 31 34 1 0 0 0 0 | |
| 32 42 1 0 0 0 0 | |
| 33 66 1 0 0 0 0 | |
| 33 67 1 0 0 0 0 | |
| 33 68 1 0 0 0 0 | |
| 34 35 1 0 0 0 0 | |
| 34 69 1 0 0 0 0 | |
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| 35 71 1 0 0 0 0 | |
| 35 72 1 0 0 0 0 | |
| 36 37 2 0 0 0 0 | |
| 36 38 1 0 0 0 0 | |
| 38 74 1 0 0 0 0 | |
| 40 43 1 0 0 0 0 | |
| 41 43 1 0 0 0 0 | |
| 42 43 1 0 0 0 0 | |
| 43 39 1 6 0 0 0 | |
| M END | |
| $$$$ | |