./aib4.pdb OpenBabel11132113493D 110111 0 0 1 0 0 0 0 0999 V2000 -3.2240 -4.1380 1.2510 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7300 -5.1670 2.1570 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0420 -5.1190 3.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5970 -4.9300 4.5670 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 -4.7550 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5250 -6.5040 1.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6460 -6.1240 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7270 -5.3090 3.3740 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 -5.3210 4.4800 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4440 -3.9100 4.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -3.0690 4.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 -6.0260 4.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 -3.6610 6.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5750 -2.3870 6.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 -2.0330 6.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 -0.8910 6.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -1.3150 6.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6570 -3.1180 6.8290 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1170 -3.1180 6.8290 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6170 -3.3640 5.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8540 -4.4670 4.9520 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6170 -4.2020 7.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1170 -3.9560 9.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6170 -2.6270 9.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6170 -5.0390 10.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7830 -2.2260 4.7610 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2550 -2.1190 3.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3060 -0.6740 2.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6780 -0.1730 2.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6280 -2.7150 3.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 0.0280 3.7650 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 1.4570 3.6410 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3970 1.6830 2.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9280 0.8360 1.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9560 1.9740 4.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2290 1.2490 5.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1910 0.0800 6.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4460 1.7450 4.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3710 -0.5920 6.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6250 1.0730 5.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5870 -0.0950 5.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6480 3.0120 2.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -2.5050 8.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3180 -2.8570 2.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1530 -3.1810 1.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6230 -2.0060 1.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6490 -0.9200 1.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9240 -1.5600 0.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0730 0.1410 0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8960 -0.3400 2.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4770 -1.8990 1.9690 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5650 3.2000 1.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7950 -4.9990 2.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9000 -4.8690 -0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3480 -4.1370 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2450 -7.2620 1.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5250 -6.8900 1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1750 -6.8440 -0.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6960 -6.0400 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2300 -5.4670 2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 -5.8420 5.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -6.0350 4.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 -7.0500 3.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 -5.5050 3.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 -4.3220 6.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 -0.3650 6.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 -1.2300 5.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4090 -1.5730 6.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 -4.0730 6.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4810 -2.1530 7.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7070 -4.2020 7.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 -5.1670 7.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 -3.9560 9.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7070 -2.6270 9.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 -1.8400 8.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 -2.4490 10.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7070 -5.0390 10.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 -4.8610 11.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 -6.0050 9.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6010 -1.3000 5.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9810 -2.6350 2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3090 -2.1790 3.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5910 -3.7650 3.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6630 -0.3430 4.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4760 1.9840 3.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 1.8100 5.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1600 3.0410 4.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2440 -0.3060 6.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4750 2.6550 4.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3410 -1.5010 6.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5720 1.4600 4.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5050 -0.6190 6.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 -1.5550 8.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 -2.7630 8.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 -3.2840 8.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6710 -2.7760 1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2820 -3.9070 2.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3210 -2.4230 2.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3030 -2.3450 1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7180 -0.8230 0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7340 -2.0130 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1430 0.5590 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 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0 49103 1 0 0 0 0 49104 1 0 0 0 0 50105 1 0 0 0 0 50106 1 0 0 0 0 50107 1 0 0 0 0 52108 1 0 0 0 0 52109 1 0 0 0 0 52110 1 0 0 0 0 M END > 4 COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006 888 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC) > aibb5 > <MODEL> 1 $$$$