./aib3.pdb OpenBabel11132113493D 105105 0 0 1 0 0 0 0 0999 V2000 -0.5560 5.8410 7.1340 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 5.9350 6.9120 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5360 4.6420 7.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 3.8830 8.1810 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 7.0510 7.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 4.3990 6.5820 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4910 3.2270 6.7160 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9390 3.0970 8.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 2.0400 8.7580 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6900 3.3840 5.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2230 4.2820 8.6820 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6840 4.5010 10.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6890 3.9220 11.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 3.4620 12.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0130 3.8320 10.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 3.9610 10.5250 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 3.4780 11.2110 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0680 2.0180 10.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 1.1440 11.7710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 4.2390 10.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 5.7000 11.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 5.9030 12.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 6.4600 10.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1010 1.7610 9.6160 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 0.4430 9.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 -0.4530 9.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 -1.6450 9.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 -0.1460 9.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2180 0.2000 9.5750 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4870 -0.3820 10.0030 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8470 0.1470 11.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3590 -0.4690 12.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5610 -0.0170 9.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8640 -0.6150 9.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7100 0.1010 10.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2260 -1.8860 9.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9180 -0.4530 10.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4340 -2.4410 9.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2790 -1.7240 10.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5180 1.4620 11.4310 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 5.9730 10.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 0.5720 7.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 4.9210 6.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7860 5.1110 7.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8200 4.9950 8.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6230 4.0050 6.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2280 6.5090 6.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 4.0360 5.8520 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8560 1.9300 12.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 6.5840 7.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 6.1330 5.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 7.1210 7.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9730 7.9900 7.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 6.8520 8.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9960 4.9940 5.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 2.3340 6.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3330 2.5100 5.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3640 3.4790 4.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2430 4.2770 6.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1530 5.1730 8.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 3.9950 11.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9110 2.7620 10.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7360 4.2520 9.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1840 4.3300 9.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 3.6260 12.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 3.8780 11.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 4.0910 9.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 6.0600 10.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 5.5430 13.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 5.3510 12.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 6.9650 12.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8490 6.1000 11.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 7.5220 10.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 6.3120 9.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 2.4470 8.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 -1.1300 8.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4130 -0.2400 10.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 0.5050 9.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3600 1.1780 9.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3910 -1.4670 10.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6570 1.0680 8.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2990 -0.4010 8.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4280 1.0900 10.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5680 -2.4440 8.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5760 0.1040 11.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7150 -3.4300 9.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2190 -2.1560 10.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1690 6.1360 11.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5480 6.3930 9.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8590 6.4590 10.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 -0.4120 7.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 1.2230 7.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9740 1.0000 7.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1880 5.7510 9.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8320 5.1240 8.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4610 4.0200 8.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5570 4.0610 5.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2760 3.0140 6.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6760 4.0820 6.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1570 6.6040 5.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2610 6.7160 6.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6020 7.2880 7.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5970 2.9870 12.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 1.3680 13.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9270 1.8070 12.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 43 1 0 0 0 0 1 50 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 51 1 6 0 0 0 3 4 2 0 0 0 0 3 6 1 0 0 0 0 5 52 1 0 0 0 0 5 53 1 0 0 0 0 5 54 1 0 0 0 0 6 7 1 0 0 0 0 6 55 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 56 1 6 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 10 57 1 0 0 0 0 10 58 1 0 0 0 0 10 59 1 0 0 0 0 11 12 1 0 0 0 0 11 60 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 15 61 1 0 0 0 0 15 62 1 0 0 0 0 15 63 1 0 0 0 0 16 17 1 0 0 0 0 16 64 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 17 65 1 1 0 0 0 18 19 2 0 0 0 0 18 24 1 0 0 0 0 20 21 1 0 0 0 0 20 66 1 0 0 0 0 20 67 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 68 1 0 0 0 0 22 69 1 0 0 0 0 22 70 1 0 0 0 0 22 71 1 0 0 0 0 23 72 1 0 0 0 0 23 73 1 0 0 0 0 23 74 1 0 0 0 0 24 25 1 0 0 0 0 24 75 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 42 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 28 76 1 0 0 0 0 28 77 1 0 0 0 0 28 78 1 0 0 0 0 29 30 1 0 0 0 0 29 79 1 0 0 0 0 30 31 1 0 0 0 0 30 33 1 0 0 0 0 30 80 1 1 0 0 0 31 32 2 0 0 0 0 31 40 1 0 0 0 0 33 34 1 0 0 0 0 33 81 1 0 0 0 0 33 82 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 35 83 1 0 0 0 0 36 38 2 0 0 0 0 36 84 1 0 0 0 0 37 39 2 0 0 0 0 37 85 1 0 0 0 0 38 39 1 0 0 0 0 38 86 1 0 0 0 0 39 87 1 0 0 0 0 40 49 1 0 0 0 0 41 88 1 0 0 0 0 41 89 1 0 0 0 0 41 90 1 0 0 0 0 42 91 1 0 0 0 0 42 92 1 0 0 0 0 42 93 1 0 0 0 0 43 44 1 0 0 0 0 43 48 2 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44 47 1 0 0 0 0 45 94 1 0 0 0 0 45 95 1 0 0 0 0 45 96 1 0 0 0 0 46 97 1 0 0 0 0 46 98 1 0 0 0 0 46 99 1 0 0 0 0 47100 1 0 0 0 0 47101 1 0 0 0 0 47102 1 0 0 0 0 49103 1 0 0 0 0 49104 1 0 0 0 0 49105 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) > aibb4 > <MODEL> 1 $$$$