./aib53.pdb OpenBabel11132113493D 50 51 0 0 1 0 0 0 0 0999 V2000 -0.0850 3.1800 3.3690 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 1.8460 3.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 1.8510 3.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6080 1.0480 4.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 1.4570 5.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 3.7820 2.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 2.8420 2.9450 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8420 3.0870 2.7580 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4240 3.6700 4.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 3.5840 4.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8600 4.1090 1.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5390 4.8530 1.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5040 4.3080 4.7350 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 0.8600 2.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7450 4.9840 6.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 4.3120 3.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 5.3710 3.4030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 4.3900 4.8580 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 6.5990 3.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 7.6740 3.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0670 7.3930 2.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7930 8.3900 2.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2600 9.6670 1.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0020 9.9490 2.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 8.9520 3.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 3.1030 2.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 0.4620 5.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 2.1740 5.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 1.4540 5.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 4.1950 2.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 3.2840 1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4520 2.6470 3.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8950 3.5920 0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7270 4.7700 1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6260 5.6250 2.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 5.3460 0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 4.4030 4.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2770 -0.1350 2.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1800 0.8570 2.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 1.1430 1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 5.4170 6.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1190 4.2640 6.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4820 5.7740 5.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0400 6.7820 3.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 6.6030 5.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 6.3980 2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7730 8.1710 1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 10.4430 1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 10.9430 2.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 9.1710 3.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 14 1 0 0 0 0 3 4 2 0 0 0 0 3 7 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 30 1 0 0 0 0 6 31 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 32 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 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 25 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 50 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) > aibb74 > <MODEL> 1 $$$$