./aib50.pdb OpenBabel11132113493D 63 64 0 0 1 0 0 0 0 0999 V2000 0.0850 2.7700 2.9850 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 1.3930 2.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 1.3930 2.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7720 0.5130 2.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 0.6860 4.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 3.5030 4.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5760 2.4740 3.6090 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0110 2.7400 3.7600 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5960 1.8030 4.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2370 1.7350 5.9540 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0310 4.1790 4.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7130 4.3310 5.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9720 1.1360 2.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5680 1.0340 4.2490 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3200 0.0280 5.0070 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8310 0.5520 6.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1380 1.7190 6.5420 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4490 -0.3390 4.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8600 -0.0940 2.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9190 -0.4100 7.2350 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 0.6860 1.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3800 -0.2310 8.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 3.3170 3.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 4.6130 3.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 5.2730 4.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9760 4.3860 4.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1530 6.6190 3.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 5.4750 5.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 2.7350 4.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 3.2380 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 -0.3410 4.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 1.2000 5.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 0.6860 4.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 3.0880 4.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 4.1100 3.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5620 2.6230 2.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0640 4.8710 3.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 4.3880 4.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8030 3.9150 6.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 5.3720 5.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5450 2.0520 2.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1240 1.1380 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6820 -0.8350 5.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7970 -1.3640 4.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3030 0.3200 4.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6230 0.0510 1.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2500 -0.9480 2.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6780 -1.3810 7.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 -0.3410 1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 0.6860 1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 1.2000 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3470 -1.1880 9.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4040 0.1440 8.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7350 0.4830 9.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 3.4140 5.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6530 4.8490 5.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5410 4.2050 3.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 7.2250 3.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7050 6.4730 2.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7860 7.1980 4.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 6.0640 5.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 5.9940 6.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 4.5200 6.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 21 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 36 1 6 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 43 1 1 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 22 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 29 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 28 63 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) > aibb70 > <MODEL> 1 $$$$