./aib31.pdb OpenBabel11132113493D 124123 0 0 1 0 0 0 0 0999 V2000 -1.2830 5.6900 10.6500 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4440 5.0580 9.6360 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8300 5.8350 9.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9060 7.0140 9.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 5.0350 8.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4480 4.2580 8.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 4.3860 7.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9010 5.0890 9.7600 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2870 5.5450 9.7080 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0470 4.7220 8.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6470 3.6810 8.9600 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9140 5.3940 11.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 5.2550 7.4890 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 4.7020 6.2970 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0930 5.0560 6.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5450 6.1980 6.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 5.2710 5.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 4.7020 3.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 5.2710 2.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4840 3.2090 3.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8670 3.9710 6.2970 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3270 3.9710 6.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8270 2.7460 7.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5360 2.7460 8.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8270 3.9710 4.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4090 1.6270 6.4120 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7190 0.2690 6.8510 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8310 -0.2860 6.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7920 -0.4350 4.7930 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5020 -0.5950 6.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3900 -0.0390 7.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8200 -1.9890 7.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8940 -0.6110 6.7470 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1390 -1.1750 6.2350 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9640 -2.6470 6.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2110 -3.3790 6.6390 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2370 -0.9530 7.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7330 -3.0880 5.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7970 -4.4670 4.5330 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1980 -4.9830 4.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2390 -4.3380 4.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3990 -4.5180 3.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9980 -4.0020 2.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0630 -4.8520 3.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5990 -4.0520 1.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1630 -6.3230 4.8960 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8270 5.1950 7.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7040 5.1150 11.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 5.9780 12.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9530 5.4730 13.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7430 5.0800 14.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8220 4.2500 13.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7820 6.5840 14.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 3.9660 12.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4580 -6.7790 5.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 6.6330 10.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 4.0370 9.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 6.0560 8.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2170 3.2370 8.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0740 4.7300 9.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 4.2420 7.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 3.3650 7.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 4.3700 6.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 4.9510 7.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8840 4.1180 10.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3140 6.5930 9.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9490 5.7340 11.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3620 5.9920 11.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8870 4.3450 11.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5190 6.1080 7.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 3.6170 6.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0930 6.3550 5.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 5.0130 5.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6940 4.9590 3.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 5.0130 2.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0930 6.3550 2.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4570 4.8570 1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 2.9520 3.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9580 2.7960 2.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9580 2.7960 4.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 3.0160 6.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9170 3.9710 4.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4640 3.0810 4.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4640 4.8610 4.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8260 1.5810 5.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0280 0.2870 7.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1930 -0.6120 5.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6990 -0.0220 8.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1580 0.9740 7.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5050 -0.6670 7.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1290 -1.9720 8.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9360 -2.6170 7.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6280 -2.3930 6.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9680 -0.5060 7.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3990 -0.6880 5.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1660 -1.3740 6.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3640 0.1160 7.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9770 -1.4400 8.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3650 -2.5220 4.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1170 -5.0850 5.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4470 -5.5470 2.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0780 -3.8990 2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9500 -2.9720 3.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1110 -5.8820 3.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3520 -4.8160 4.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0450 -4.4780 3.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6480 -5.0820 1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5820 -3.6780 1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2790 -3.4340 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9170 5.1950 7.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4640 6.0850 6.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4640 5.1950 8.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 5.9400 14.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 4.6700 15.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 4.3270 14.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6520 4.5240 12.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2420 3.4840 12.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2430 3.7970 14.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6120 6.8940 13.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2010 6.2530 15.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1750 7.4680 14.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4480 -7.8550 5.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0170 -6.5600 4.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9320 -6.2800 5.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 48 1 0 0 0 0 1 56 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 57 1 1 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 58 1 0 0 0 0 6 59 1 0 0 0 0 6 60 1 0 0 0 0 6 61 1 0 0 0 0 7 62 1 0 0 0 0 7 63 1 0 0 0 0 7 64 1 0 0 0 0 8 9 1 0 0 0 0 8 65 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 66 1 6 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 12 67 1 0 0 0 0 12 68 1 0 0 0 0 12 69 1 0 0 0 0 13 14 1 0 0 0 0 13 70 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 71 1 6 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 17 18 1 0 0 0 0 17 72 1 0 0 0 0 17 73 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 74 1 0 0 0 0 19 75 1 0 0 0 0 19 76 1 0 0 0 0 19 77 1 0 0 0 0 20 78 1 0 0 0 0 20 79 1 0 0 0 0 20 80 1 0 0 0 0 21 22 1 0 0 0 0 21 81 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 25 82 1 0 0 0 0 25 83 1 0 0 0 0 25 84 1 0 0 0 0 26 27 1 0 0 0 0 26 85 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 27 86 1 1 0 0 0 28 29 2 0 0 0 0 28 33 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 87 1 0 0 0 0 31 88 1 0 0 0 0 31 89 1 0 0 0 0 31 90 1 0 0 0 0 32 91 1 0 0 0 0 32 92 1 0 0 0 0 32 93 1 0 0 0 0 33 34 1 0 0 0 0 33 94 1 0 0 0 0 34 35 1 0 0 0 0 34 37 1 0 0 0 0 34 95 1 6 0 0 0 35 36 2 0 0 0 0 35 38 1 0 0 0 0 37 96 1 0 0 0 0 37 97 1 0 0 0 0 37 98 1 0 0 0 0 38 39 1 0 0 0 0 38 99 1 0 0 0 0 39 40 1 0 0 0 0 39 42 1 0 0 0 0 39100 1 1 0 0 0 40 41 2 0 0 0 0 40 46 1 0 0 0 0 42 43 1 0 0 0 0 42101 1 0 0 0 0 42102 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43103 1 0 0 0 0 44104 1 0 0 0 0 44105 1 0 0 0 0 44106 1 0 0 0 0 45107 1 0 0 0 0 45108 1 0 0 0 0 45109 1 0 0 0 0 46 55 1 0 0 0 0 47110 1 0 0 0 0 47111 1 0 0 0 0 47112 1 0 0 0 0 48 49 1 0 0 0 0 48 54 2 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 50 53 1 0 0 0 0 51113 1 0 0 0 0 51114 1 0 0 0 0 51115 1 0 0 0 0 52116 1 0 0 0 0 52117 1 0 0 0 0 52118 1 0 0 0 0 53119 1 0 0 0 0 53120 1 0 0 0 0 53121 1 0 0 0 0 55122 1 0 0 0 0 55123 1 0 0 0 0 55124 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) > aibb45 > <MODEL> 1 $$$$