./aib19.pdb OpenBabel11132113493D 60 59 0 0 1 0 0 0 0 0999 V2000 -5.8240 13.7010 3.5100 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4460 13.5080 2.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3580 13.1920 1.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6830 12.6200 0.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3810 12.2870 2.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0840 13.5220 1.4290 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1100 14.3050 0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 13.6060 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7870 14.2690 -1.3350 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 12.2640 -0.4870 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 11.4040 -1.3770 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3860 11.2470 -2.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5900 11.4550 -2.8690 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 10.0880 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 9.1600 -1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 7.8120 -0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0830 9.8050 -1.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 10.8780 -3.6790 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3150 14.7390 1.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 11.5850 -4.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1950 12.7270 4.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7600 13.3130 5.4170 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0710 12.6260 6.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7190 12.0580 5.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9580 11.5310 7.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8050 13.7200 7.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0560 11.5380 3.9840 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8480 14.6280 3.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8590 12.0510 1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8490 11.3940 2.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1760 12.4720 3.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7580 13.2170 2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 14.6910 1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6270 15.1750 0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0360 11.8040 0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7160 11.9330 -1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 9.5400 -0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 10.3220 0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 8.9460 -2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 7.9400 0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 7.3190 -0.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 7.1360 -1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5380 10.0770 -0.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 9.1210 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 10.7060 -2.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8450 14.5830 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0690 14.9270 2.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7330 15.6550 1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7610 11.1540 -5.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4790 11.5270 -5.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 12.6350 -4.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 12.8310 5.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1430 11.6570 6.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8430 11.2480 5.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9230 11.9340 7.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1480 10.7040 6.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4810 11.1060 7.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7360 14.1620 7.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2780 13.3190 8.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 14.5250 7.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 19 1 0 0 0 0 3 4 2 0 0 0 0 3 6 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 36 1 6 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 27 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 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) > aibb26 > <MODEL> 1 $$$$