./aib17.pdb OpenBabel11132113493D 106106 0 0 1 0 0 0 0 0999 V2000 -3.1030 -5.0370 -5.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 -3.7020 -4.8880 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2150 -3.9260 -3.6360 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5840 -2.6680 -3.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 -1.7420 -3.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1860 -5.0050 -3.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7780 -5.7460 -5.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5130 -2.6630 -1.7850 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 -1.5870 -0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6550 -1.5500 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 -0.5940 0.7980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 -1.8310 -0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 -2.6960 1.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0730 -2.9830 2.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5290 -2.0040 3.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 -0.8510 3.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 -2.5330 4.5600 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 -1.8450 5.7520 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5380 -1.8450 5.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -2.8470 5.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 -2.5520 6.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9620 -2.5520 6.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4620 -1.1380 6.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4620 -3.2590 8.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0340 -0.6080 5.7520 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4520 -0.2620 5.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6490 1.0460 6.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5370 1.8570 6.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2280 -1.3340 6.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 1.2390 7.4080 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6440 2.4100 8.2760 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2450 2.0880 9.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7430 1.0260 9.9680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 2.7930 8.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3970 3.1150 7.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3510 4.2570 6.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 3.4980 7.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1610 3.1780 10.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 -0.2760 -1.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 -0.1440 4.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7180 2.8630 11.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2120 -3.0650 -4.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8460 -2.8680 -5.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0630 -2.2670 -5.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7790 -0.9270 -4.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8690 -3.2140 -4.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7600 -2.0550 -6.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6910 -2.7400 -3.5640 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3530 -5.0090 -6.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9230 -5.5450 -4.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9120 -4.2810 -2.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0070 -5.6610 -3.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 -4.5490 -4.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1160 -5.6570 -6.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 -6.8100 -4.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8380 -3.4010 -1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 -1.0290 -0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 -2.7840 -0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 -1.8590 -1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 -3.5050 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7990 -3.9950 2.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1590 -2.8970 2.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 -3.4750 4.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -0.8180 5.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 -2.0390 7.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 -3.5800 6.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3250 -3.0660 6.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0990 -0.6240 7.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0990 -0.6240 6.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5520 -1.1380 6.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0990 -2.7460 9.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5520 -3.2590 8.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0990 -4.2870 8.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 0.2430 5.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -1.0770 6.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -1.4200 7.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0850 -2.2850 5.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 0.6000 7.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 3.2390 7.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 3.6670 9.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3390 1.9640 8.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 2.2410 6.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 5.1310 7.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3970 3.9780 6.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 4.4900 5.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9010 4.3720 7.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2720 3.7320 6.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3790 2.6690 7.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7290 0.5260 -1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 -0.3040 -2.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 -0.0990 -1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9970 0.1130 4.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 -1.0950 3.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 0.6350 3.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6600 3.7290 12.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1730 2.0310 12.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7620 2.5820 11.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1670 -0.2760 -5.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7030 -0.3930 -4.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2420 -1.0760 -3.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0270 -4.1800 -5.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3490 -3.4000 -3.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8490 -2.8000 -4.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9160 -3.0030 -7.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7340 -1.5800 -6.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1630 -1.4220 -7.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 2 3 1 0 0 0 0 2 42 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 51 1 1 0 0 0 4 5 2 0 0 0 0 4 8 1 0 0 0 0 6 7 1 0 0 0 0 6 52 1 0 0 0 0 6 53 1 0 0 0 0 7 54 1 0 0 0 0 7 55 1 0 0 0 0 8 9 1 0 0 0 0 8 56 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 12 57 1 0 0 0 0 12 58 1 0 0 0 0 12 59 1 0 0 0 0 13 14 1 0 0 0 0 13 60 1 0 0 0 0 14 15 1 0 0 0 0 14 61 1 0 0 0 0 14 62 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 63 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 64 1 1 0 0 0 19 20 2 0 0 0 0 19 25 1 0 0 0 0 21 22 1 0 0 0 0 21 65 1 0 0 0 0 21 66 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 67 1 0 0 0 0 23 68 1 0 0 0 0 23 69 1 0 0 0 0 23 70 1 0 0 0 0 24 71 1 0 0 0 0 24 72 1 0 0 0 0 24 73 1 0 0 0 0 25 26 1 0 0 0 0 25 74 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 26 40 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 29 75 1 0 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0 30 31 1 0 0 0 0 30 78 1 0 0 0 0 31 32 1 0 0 0 0 31 34 1 0 0 0 0 31 79 1 6 0 0 0 32 33 2 0 0 0 0 32 38 1 0 0 0 0 34 35 1 0 0 0 0 34 80 1 0 0 0 0 34 81 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 82 1 0 0 0 0 36 83 1 0 0 0 0 36 84 1 0 0 0 0 36 85 1 0 0 0 0 37 86 1 0 0 0 0 37 87 1 0 0 0 0 37 88 1 0 0 0 0 38 41 1 0 0 0 0 39 89 1 0 0 0 0 39 90 1 0 0 0 0 39 91 1 0 0 0 0 40 92 1 0 0 0 0 40 93 1 0 0 0 0 40 94 1 0 0 0 0 41 95 1 0 0 0 0 41 96 1 0 0 0 0 41 97 1 0 0 0 0 42 43 1 0 0 0 0 42 48 2 0 0 0 0 43 44 1 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 98 1 0 0 0 0 45 99 1 0 0 0 0 45100 1 0 0 0 0 46101 1 0 0 0 0 46102 1 0 0 0 0 46103 1 0 0 0 0 47104 1 0 0 0 0 47105 1 0 0 0 0 47106 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) > aibb24 > <MODEL> 1 $$$$