./aib10.pdb OpenBabel11132113493D 140141 0 0 1 0 0 0 0 0999 V2000 -3.1620 3.2510 8.6660 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9880 3.0520 7.8200 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7860 2.8030 8.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 3.6700 9.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7600 4.2780 6.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9610 4.5280 6.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 4.0750 6.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6180 1.5050 8.9360 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 0.9300 9.7420 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7050 0.8390 8.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 0.2000 7.8780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -0.4420 10.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 1.5460 9.4530 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0480 1.6660 8.8990 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8450 0.4450 9.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0920 0.0670 10.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7160 2.8820 9.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0990 3.0050 8.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1710 2.4000 9.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 3.7240 7.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4520 2.5140 9.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5880 3.8380 7.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6610 3.2330 7.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2680 -0.2030 8.1680 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0660 -1.4250 8.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5240 -1.0710 8.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 0.0700 8.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7470 -2.2310 9.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2980 -2.1560 8.1680 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7580 -2.1560 8.1680 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2580 -1.9110 6.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0220 -2.6210 5.8020 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2580 -3.4850 8.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7580 -3.7310 10.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7580 -3.4850 8.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0070 -0.8100 6.7040 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6420 -0.2930 5.4960 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9040 -1.0590 5.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8650 -1.1300 5.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9690 1.1590 5.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8700 -1.6720 4.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9380 -2.4960 3.4850 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9960 -1.6120 2.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9840 -1.1540 3.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3760 -3.3840 2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3170 -4.2690 3.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6610 -5.5090 3.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9930 -3.8480 3.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6800 -6.3290 4.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0120 -4.6680 3.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3560 -5.9080 4.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7050 -1.3700 1.5920 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0470 0.3550 -0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0600 0.6630 0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6600 -0.5800 1.0830 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1290 1.5480 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8550 1.8000 -1.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1120 1.9960 0.6150 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7470 -2.2310 6.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3880 1.3650 1.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2610 2.5040 8.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1600 2.9590 9.5590 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3410 2.2470 9.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9880 0.7970 9.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9980 2.3280 8.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2230 2.9040 10.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4400 1.5400 7.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8480 2.6140 -1.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0030 4.0450 9.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1510 2.1950 7.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5960 5.1360 7.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1240 3.6700 5.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 4.6760 6.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7950 5.4180 5.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7170 3.2170 5.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 4.9660 5.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 3.8940 6.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 0.7600 8.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 1.5640 10.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 -0.8710 10.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8530 -0.3760 10.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -1.0760 9.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6480 2.0850 10.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9870 1.7580 7.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7760 2.7900 10.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1370 3.7690 9.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0090 1.8400 10.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4720 4.1950 7.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2880 2.0430 9.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 4.3980 6.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6580 3.3210 7.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0880 0.0720 7.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3430 -3.1430 9.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9790 -1.6450 10.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6880 -2.4880 9.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9690 -3.1110 8.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1210 -1.3690 8.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8940 -4.2730 7.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1210 -2.9440 10.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6680 -3.7310 10.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1210 -4.6970 10.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1210 -2.6980 9.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1210 -4.4510 9.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1210 -3.3070 7.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2260 -0.1990 7.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9620 -0.4060 4.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4430 1.5440 4.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0520 1.7150 5.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6490 1.2710 6.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1020 -1.6400 3.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3740 -3.1090 4.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1730 -4.0000 1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9390 -2.7720 1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6920 -5.8370 3.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7250 -2.8830 2.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9480 -7.2940 4.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9810 -4.3400 3.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5930 -6.5460 4.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6000 1.2830 -0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5360 -0.1550 -1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2700 -0.2880 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1130 -1.0520 0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3430 -3.1430 6.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6880 -2.4880 6.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9790 -1.6450 6.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9400 2.2930 1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6110 0.7220 2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1240 1.5890 2.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4790 0.7480 10.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8800 0.1720 10.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3240 0.3490 9.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2030 3.3610 7.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3500 1.9050 7.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9430 1.7830 8.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4310 3.9470 10.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1790 2.3900 10.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7330 2.8880 11.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6430 2.8270 -2.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8740 3.5470 -1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8100 2.1100 -1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 61 1 0 0 0 0 1 69 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 70 1 6 0 0 0 3 4 2 0 0 0 0 3 8 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 71 1 0 0 0 0 6 72 1 0 0 0 0 6 73 1 0 0 0 0 6 74 1 0 0 0 0 7 75 1 0 0 0 0 7 76 1 0 0 0 0 7 77 1 0 0 0 0 8 9 1 0 0 0 0 8 78 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 79 1 1 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 12 80 1 0 0 0 0 12 81 1 0 0 0 0 12 82 1 0 0 0 0 13 14 1 0 0 0 0 13 83 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 84 1 6 0 0 0 15 16 2 0 0 0 0 15 24 1 0 0 0 0 17 18 1 0 0 0 0 17 85 1 0 0 0 0 17 86 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 87 1 0 0 0 0 20 22 2 0 0 0 0 20 88 1 0 0 0 0 21 23 2 0 0 0 0 21 89 1 0 0 0 0 22 23 1 0 0 0 0 22 90 1 0 0 0 0 23 91 1 0 0 0 0 24 25 1 0 0 0 0 24 92 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 59 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 28 93 1 0 0 0 0 28 94 1 0 0 0 0 28 95 1 0 0 0 0 29 30 1 0 0 0 0 29 96 1 0 0 0 0 30 31 1 0 0 0 0 30 33 1 0 0 0 0 30 97 1 1 0 0 0 31 32 2 0 0 0 0 31 36 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 98 1 0 0 0 0 34 99 1 0 0 0 0 34100 1 0 0 0 0 34101 1 0 0 0 0 35102 1 0 0 0 0 35103 1 0 0 0 0 35104 1 0 0 0 0 36 37 1 0 0 0 0 36105 1 0 0 0 0 37 38 1 0 0 0 0 37 40 1 0 0 0 0 37106 1 6 0 0 0 38 39 2 0 0 0 0 38 41 1 0 0 0 0 40107 1 0 0 0 0 40108 1 0 0 0 0 40109 1 0 0 0 0 41 42 1 0 0 0 0 41110 1 0 0 0 0 42 43 1 0 0 0 0 42 45 1 0 0 0 0 42111 1 1 0 0 0 43 44 2 0 0 0 0 43 52 1 0 0 0 0 45 46 1 0 0 0 0 45112 1 0 0 0 0 45113 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 47 49 1 0 0 0 0 47114 1 0 0 0 0 48 50 2 0 0 0 0 48115 1 0 0 0 0 49 51 2 0 0 0 0 49116 1 0 0 0 0 50 51 1 0 0 0 0 50117 1 0 0 0 0 51118 1 0 0 0 0 52 55 1 0 0 0 0 53 54 1 0 0 0 0 53119 1 0 0 0 0 53120 1 0 0 0 0 53121 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 54 60 1 0 0 0 0 55122 1 0 0 0 0 56 57 1 0 0 0 0 56 58 2 0 0 0 0 57 68 1 0 0 0 0 59123 1 0 0 0 0 59124 1 0 0 0 0 59125 1 0 0 0 0 60126 1 0 0 0 0 60127 1 0 0 0 0 60128 1 0 0 0 0 61 62 1 0 0 0 0 61 67 2 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 63 65 1 0 0 0 0 63 66 1 0 0 0 0 64129 1 0 0 0 0 64130 1 0 0 0 0 64131 1 0 0 0 0 65132 1 0 0 0 0 65133 1 0 0 0 0 65134 1 0 0 0 0 66135 1 0 0 0 0 66136 1 0 0 0 0 66137 1 0 0 0 0 68138 1 0 0 0 0 68139 1 0 0 0 0 68140 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) > aibb14 > <MODEL> 1 $$$$