./aib52.pdb OpenBabel11132113493D 58 58 0 0 1 0 0 0 0 0999 V2000 -2.8110 3.9650 6.2930 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5990 3.6250 4.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 3.3570 4.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 2.5780 3.8040 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3940 2.4000 4.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 4.9880 6.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3580 4.0690 5.4860 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 4.0080 5.4860 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6290 2.6010 5.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 1.5650 5.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 4.7640 6.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3280 5.7500 6.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9860 2.6250 5.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4330 1.3620 5.4860 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8930 1.3620 5.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3930 2.0690 4.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6410 3.2630 4.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3930 2.0690 6.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5430 1.1720 3.2540 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9890 1.8200 2.1700 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1580 0.8740 1.0710 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1500 -0.1800 1.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3650 -0.1580 1.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6580 1.6000 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4970 -1.2130 2.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0430 4.7670 4.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3930 -0.0520 5.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4240 -2.1710 2.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7930 4.1450 6.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5120 3.1960 6.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2350 2.1460 3.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0710 1.5690 5.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4530 2.5940 4.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3490 4.4210 7.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 5.6540 6.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 4.5200 4.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4460 5.2530 6.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 4.0700 7.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 6.0990 7.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4810 6.6290 6.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0960 0.8850 4.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4830 2.0690 6.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0300 3.0970 6.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0300 1.5550 7.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8760 2.2560 2.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2010 0.4050 0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7850 0.8940 -0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9380 2.3660 -0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6160 2.0690 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 4.5130 2.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1020 4.9620 4.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4650 5.6570 4.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4830 -0.0520 5.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0300 -0.5660 6.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0300 -0.5660 4.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9150 -3.0090 2.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9450 -2.5210 1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1430 -1.7390 3.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 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 26 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 13 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 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 27 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 21 46 1 6 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 28 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 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) > aibb73 > <MODEL> 1 $$$$