./aib23.pdb OpenBabel11132113493D 131130 0 0 1 0 0 0 0 0999 V2000 -1.2650 1.8790 1.4740 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9890 2.8300 2.5470 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0210 2.2420 3.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 2.8730 4.0760 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 3.1240 3.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9720 4.1010 4.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2390 4.3950 5.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4300 5.3710 3.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 0.9230 3.6180 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 0.0540 4.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 0.3130 4.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0270 0.3560 5.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 0.3360 5.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 0.4990 2.8770 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6710 0.7720 2.2770 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1950 2.0790 2.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3820 2.3750 2.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5280 0.8460 0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0030 -0.4600 0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8670 1.1280 0.1690 C 0 0 0 0 0 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0 8.0470 5.8140 2.7370 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7200 5.9040 1.4440 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9140 7.3460 1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8600 7.8410 0.4760 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8810 5.2340 0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5720 5.3260 -0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5460 5.9130 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8570 8.0700 1.5280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 -1.3800 4.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1210 6.6430 6.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 1.3430 0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9480 0.5000 -0.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0860 -0.1090 -1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -0.9260 -0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 1.0030 -1.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -1.0160 -2.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 1.5770 0.7090 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0530 9.3910 1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 1.6950 1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 3.7530 2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 2.2010 3.7190 H 0 0 0 0 0 0 0 0 0 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0 0 0 0 51117 1 0 0 0 0 51118 1 0 0 0 0 51119 1 0 0 0 0 52 53 1 0 0 0 0 52 58 2 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 54 57 1 0 0 0 0 55120 1 0 0 0 0 55121 1 0 0 0 0 55122 1 0 0 0 0 56123 1 0 0 0 0 56124 1 0 0 0 0 56125 1 0 0 0 0 57126 1 0 0 0 0 57127 1 0 0 0 0 57128 1 0 0 0 0 59129 1 0 0 0 0 59130 1 0 0 0 0 59131 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) > aibb34 > <MODEL> 1 $$$$