./aib30.pdb OpenBabel11132113493D 143143 0 0 1 0 0 0 0 0999 V2000 4.5430 5.4990 3.4990 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3620 6.7210 4.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6710 6.6710 5.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1070 7.6060 6.4090 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9340 7.8520 3.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7480 9.1080 4.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0200 9.0780 5.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3030 10.3020 4.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8470 10.2420 6.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1310 11.4660 4.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 11.4360 5.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4140 5.4700 6.2640 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6060 5.0920 7.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0150 5.3970 8.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3790 5.6490 9.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 5.8670 8.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8530 5.3660 7.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2900 5.6170 7.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5370 6.9320 7.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5140 7.1980 8.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9560 4.5200 7.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5570 7.8040 7.5430 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4950 9.1690 8.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7150 9.1550 9.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4220 9.9450 10.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5590 9.9990 7.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0450 8.1660 10.1330 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0480 7.8790 11.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4570 7.6550 12.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8730 7.8700 13.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4550 9.0390 12.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2310 7.1850 11.0470 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6500 6.8620 11.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4190 8.1090 11.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5310 8.1400 12.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7470 9.2090 11.1570 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2150 10.5790 11.3410 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1800 10.9270 12.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9340 11.7180 13.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3250 11.5180 10.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 11.1700 9.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4600 11.9360 8.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0460 11.5260 8.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2150 10.2700 13.4440 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9170 10.3830 14.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1040 9.9290 15.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5460 10.4920 16.6620 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6060 11.8120 15.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6440 8.8190 15.1610 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8080 8.1220 15.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5990 7.8600 17.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4140 7.9970 18.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9890 6.8190 14.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3280 7.4310 17.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3440 3.6240 7.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8530 5.6580 5.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1470 9.7550 7.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2330 6.6470 11.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7330 9.5240 15.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0300 8.9710 15.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 4.8790 3.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5170 3.7720 2.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6640 3.0550 2.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2550 2.6020 3.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6280 3.9920 1.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2620 1.8510 1.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7820 5.2520 3.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1550 7.1950 18.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6470 5.2020 3.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 7.8890 2.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 8.1480 6.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8700 10.3260 3.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2810 10.2180 7.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5640 12.3960 4.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 12.3420 6.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0550 4.6750 5.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 5.5840 9.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8440 6.9330 8.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6290 5.6450 8.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5970 5.1630 6.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0280 4.7080 7.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5470 4.4900 8.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7760 3.5650 7.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7380 7.6270 6.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5120 11.0180 7.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5380 9.5730 7.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3980 10.0080 6.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4550 7.4950 9.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4580 8.8240 13.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0480 9.9340 12.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4310 9.2010 11.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9310 6.9930 10.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0110 6.4480 10.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7890 6.1310 11.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8310 9.2290 10.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2360 10.6670 10.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6750 12.5410 10.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3040 11.4300 10.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 10.1000 9.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2800 13.0060 8.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4150 11.6770 8.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4850 11.6830 7.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8660 12.5950 8.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0710 11.2720 7.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2460 10.9690 8.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5730 9.6120 13.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3830 11.8960 16.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4660 12.4360 14.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7430 12.1410 14.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3130 8.3240 14.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8580 6.2990 15.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1020 6.2020 15.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1420 7.0100 13.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4870 3.3410 8.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3190 3.4020 7.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0350 3.0610 7.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9250 5.8460 5.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6730 4.7030 5.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3690 6.4560 5.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1010 10.7750 8.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 9.7660 6.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3750 9.1530 8.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2360 6.4320 12.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2090 6.8090 11.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6640 5.8040 11.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5110 9.6070 16.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8710 9.8530 14.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9590 8.4840 14.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8990 8.4510 15.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1820 9.1620 14.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8980 9.9180 16.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5510 1.9770 4.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1700 2.0250 3.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4960 3.4560 4.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1870 4.3490 0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8730 4.8680 2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5630 3.4880 1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7980 2.1750 0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1250 1.2360 1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5410 1.2150 1.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1380 6.8490 18.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8620 6.4340 19.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3300 8.1180 19.2690 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 2 0 0 0 0 3 4 2 0 0 0 0 3 12 1 0 0 0 0 5 6 1 0 0 0 0 5 70 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 7 71 1 0 0 0 0 8 10 2 0 0 0 0 8 72 1 0 0 0 0 9 11 2 0 0 0 0 9 73 1 0 0 0 0 10 11 1 0 0 0 0 10 74 1 0 0 0 0 11 75 1 0 0 0 0 12 13 1 0 0 0 0 12 76 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 55 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 16 77 1 0 0 0 0 16 78 1 0 0 0 0 16 79 1 0 0 0 0 17 18 1 0 0 0 0 17 80 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 56 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 21 81 1 0 0 0 0 21 82 1 0 0 0 0 21 83 1 0 0 0 0 22 23 1 0 0 0 0 22 84 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 23 57 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 26 85 1 0 0 0 0 26 86 1 0 0 0 0 26 87 1 0 0 0 0 27 28 1 0 0 0 0 27 88 1 0 0 0 0 28 29 1 0 0 0 0 28 31 1 0 0 0 0 28 58 1 0 0 0 0 29 30 2 0 0 0 0 29 32 1 0 0 0 0 31 89 1 0 0 0 0 31 90 1 0 0 0 0 31 91 1 0 0 0 0 32 33 1 0 0 0 0 32 92 1 0 0 0 0 33 34 1 0 0 0 0 33 93 1 0 0 0 0 33 94 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 36 95 1 0 0 0 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1 0 0 0 0 64133 1 0 0 0 0 64134 1 0 0 0 0 65135 1 0 0 0 0 65136 1 0 0 0 0 65137 1 0 0 0 0 66138 1 0 0 0 0 66139 1 0 0 0 0 66140 1 0 0 0 0 68141 1 0 0 0 0 68142 1 0 0 0 0 68143 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) > aibb44 > <MODEL> 1 $$$$