./aib38.pdb OpenBabel11132113493D 181183 0 0 1 0 0 0 0 0999 V2000 10.6350 -2.9980 0.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2290 -3.0650 -0.2990 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3880 -3.3370 0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4820 -4.3260 1.6340 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0380 -4.1670 -1.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8790 -3.8960 -2.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2240 -2.6430 -2.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4700 -4.8580 -3.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9980 -2.7850 -4.1010 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1750 -4.1210 -4.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4840 -6.2610 -3.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8760 -4.7490 -5.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1830 -6.8870 -4.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8620 -6.1460 -5.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5040 -2.3630 1.1320 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5400 -2.3230 2.2270 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1490 -2.2750 1.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7100 -1.3930 0.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7850 -1.1030 3.0650 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1750 -1.1520 3.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7940 -1.0630 4.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3310 -2.3800 4.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4200 -3.3190 2.0610 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0290 -3.5690 1.6930 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1850 -3.6180 2.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 -4.4110 3.8580 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9310 -4.8790 0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -2.6840 2.9220 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -2.4660 3.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -1.4870 4.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 -0.3330 4.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 -1.9200 3.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 -2.0160 6.1950 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 -1.3280 7.3870 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8590 -1.3280 7.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 -2.3300 7.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 -2.0350 8.6120 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6410 -2.0350 8.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 -1.3280 9.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1410 -0.6210 8.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3550 -0.0900 7.3870 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7740 0.2550 7.3870 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3170 0.1350 8.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9200 0.7680 9.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9450 1.6640 6.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4030 2.0190 6.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2030 2.5990 7.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3050 -0.7580 8.8510 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0450 -1.1100 10.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2390 -0.2120 10.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7500 0.1330 11.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1560 -0.9430 11.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6990 0.1830 9.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8460 1.0590 8.7910 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4330 2.4860 9.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3090 2.9360 8.7990 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3490 0.8880 7.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5270 1.7890 7.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0300 1.6180 5.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6170 1.4350 8.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4420 3.2330 9.4510 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3710 4.6590 9.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3480 4.8890 10.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6780 5.9190 10.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7110 5.1360 10.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0510 2.6250 11.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2410 3.8340 11.6590 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3190 3.7760 12.7980 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8140 4.6700 13.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5510 5.8550 14.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3950 2.3090 13.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7930 1.8720 12.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6310 3.9630 14.7180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -3.7670 4.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -2.5370 9.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9800 5.4160 8.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2340 -1.9480 0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5450 -2.2170 0.8780 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2580 -1.1850 1.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5940 -0.8610 2.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1900 0.0140 0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7050 -1.6730 1.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6830 -0.8840 0.9020 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0760 4.8000 15.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0780 -3.8770 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9300 -2.1160 -0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9890 -4.2170 -1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3380 -5.1160 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9820 -1.6550 -2.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3690 -1.9930 -4.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9600 -6.8470 -2.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4070 -4.1860 -6.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2010 -7.9680 -4.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3940 -6.6690 -6.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3930 -1.5330 0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6530 -3.2160 2.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6720 -0.2110 2.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3530 -0.2650 4.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8950 -1.1810 2.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9070 -1.9550 4.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9720 -0.1760 4.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7830 -1.0280 3.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3410 -2.4150 4.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6110 -2.3500 5.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1530 -3.2660 3.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7400 -4.0650 2.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6750 -2.7680 1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8930 -5.0650 0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5440 -4.8430 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2850 -5.6800 1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0790 -2.0130 2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 -1.7570 4.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 -0.9740 2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4090 -2.6310 2.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -2.9580 6.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 -0.3000 7.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -3.0620 8.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 -2.5490 9.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 -2.5490 7.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 -0.3000 9.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 -1.8420 10.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 -1.3280 9.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2310 -0.6210 8.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -0.1070 9.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -0.1070 7.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 0.7600 7.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3130 -0.4240 6.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 1.7520 5.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7980 1.9310 7.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9420 1.3400 6.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5280 3.0430 6.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5990 2.5110 8.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3280 3.6230 7.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1440 2.3410 7.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6620 -1.3000 8.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7080 -1.2050 12.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 0.0940 11.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2880 -1.5950 11.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3090 -0.0760 8.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6380 0.8020 9.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5570 1.1460 6.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6490 -0.1480 7.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2270 2.8250 7.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3300 0.5820 5.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2380 1.8760 5.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8870 2.2720 5.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9170 0.3980 7.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4730 2.0890 7.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2520 1.5590 9.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3800 2.9040 9.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6580 6.2000 10.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9950 4.5850 11.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4540 4.9680 9.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1120 2.8380 11.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6900 2.0500 10.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3040 4.0830 12.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6440 1.7320 12.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2050 2.1660 14.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5200 2.1790 13.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8820 0.7900 12.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7830 -3.6040 5.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4420 -4.4780 3.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 -4.1640 5.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0520 -2.7990 10.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6320 -3.1890 9.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1460 -2.6580 9.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9270 6.4810 8.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7230 5.2490 7.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0060 5.0700 8.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6000 -1.7270 3.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1090 -0.0480 3.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5530 -0.5610 2.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6180 -0.2340 -0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1590 0.3270 0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7370 0.8730 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1570 -1.9470 0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3300 -0.9020 2.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7450 -2.5520 2.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7350 4.2470 16.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6220 5.6350 15.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2220 5.1800 16.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 77 1 0 0 0 0 1 85 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 86 1 6 0 0 0 3 4 2 0 0 0 0 3 15 1 0 0 0 0 5 6 1 0 0 0 0 5 87 1 0 0 0 0 5 88 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 7 89 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 90 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 11 91 1 0 0 0 0 12 14 2 0 0 0 0 12 92 1 0 0 0 0 13 14 1 0 0 0 0 13 93 1 0 0 0 0 14 94 1 0 0 0 0 15 16 1 0 0 0 0 15 95 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 96 1 1 0 0 0 17 18 2 0 0 0 0 17 23 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 97 1 6 0 0 0 20 22 1 0 0 0 0 20 98 1 0 0 0 0 20 99 1 0 0 0 0 21100 1 0 0 0 0 21101 1 0 0 0 0 21102 1 0 0 0 0 22103 1 0 0 0 0 22104 1 0 0 0 0 22105 1 0 0 0 0 23 24 1 0 0 0 0 23106 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 24107 1 6 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 27108 1 0 0 0 0 27109 1 0 0 0 0 27110 1 0 0 0 0 28 29 1 0 0 0 0 28111 1 0 0 0 0 29 30 1 0 0 0 0 29 32 1 0 0 0 0 29 74 1 0 0 0 0 30 31 2 0 0 0 0 30 33 1 0 0 0 0 32112 1 0 0 0 0 32113 1 0 0 0 0 32114 1 0 0 0 0 33 34 1 0 0 0 0 33115 1 0 0 0 0 34 35 1 0 0 0 0 34 37 1 0 0 0 0 34116 1 1 0 0 0 35 36 2 0 0 0 0 35 41 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 37117 1 1 0 0 0 38 40 1 0 0 0 0 38118 1 0 0 0 0 38119 1 0 0 0 0 39120 1 0 0 0 0 39121 1 0 0 0 0 39122 1 0 0 0 0 40123 1 0 0 0 0 40124 1 0 0 0 0 40125 1 0 0 0 0 41 42 1 0 0 0 0 41126 1 0 0 0 0 42 43 1 0 0 0 0 42 45 1 0 0 0 0 42127 1 6 0 0 0 43 44 2 0 0 0 0 43 48 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45128 1 0 0 0 0 46129 1 0 0 0 0 46130 1 0 0 0 0 46131 1 0 0 0 0 47132 1 0 0 0 0 47133 1 0 0 0 0 47134 1 0 0 0 0 48 49 1 0 0 0 0 48135 1 0 0 0 0 49 50 1 0 0 0 0 49 52 1 0 0 0 0 49 75 1 0 0 0 0 50 51 2 0 0 0 0 50 53 1 0 0 0 0 52136 1 0 0 0 0 52137 1 0 0 0 0 52138 1 0 0 0 0 53 54 1 0 0 0 0 53139 1 0 0 0 0 54 55 1 0 0 0 0 54 57 1 0 0 0 0 54140 1 1 0 0 0 55 56 2 0 0 0 0 55 61 1 0 0 0 0 57 58 1 0 0 0 0 57141 1 0 0 0 0 57142 1 0 0 0 0 58 59 1 0 0 0 0 58 60 1 0 0 0 0 58143 1 0 0 0 0 59144 1 0 0 0 0 59145 1 0 0 0 0 59146 1 0 0 0 0 60147 1 0 0 0 0 60148 1 0 0 0 0 60149 1 0 0 0 0 61 62 1 0 0 0 0 61150 1 0 0 0 0 62 63 1 0 0 0 0 62 65 1 0 0 0 0 62 76 1 0 0 0 0 63 64 2 0 0 0 0 63 67 1 0 0 0 0 65151 1 0 0 0 0 65152 1 0 0 0 0 65153 1 0 0 0 0 66 67 1 0 0 0 0 66 72 1 0 0 0 0 66154 1 0 0 0 0 66155 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 68 71 1 0 0 0 0 68156 1 6 0 0 0 69 70 2 0 0 0 0 69 73 1 0 0 0 0 71 72 1 0 0 0 0 71157 1 0 0 0 0 71158 1 0 0 0 0 72159 1 0 0 0 0 72160 1 0 0 0 0 73 84 1 0 0 0 0 74161 1 0 0 0 0 74162 1 0 0 0 0 74163 1 0 0 0 0 75164 1 0 0 0 0 75165 1 0 0 0 0 75166 1 0 0 0 0 76167 1 0 0 0 0 76168 1 0 0 0 0 76169 1 0 0 0 0 77 78 1 0 0 0 0 77 83 2 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 79 81 1 0 0 0 0 79 82 1 0 0 0 0 80170 1 0 0 0 0 80171 1 0 0 0 0 80172 1 0 0 0 0 81173 1 0 0 0 0 81174 1 0 0 0 0 81175 1 0 0 0 0 82176 1 0 0 0 0 82177 1 0 0 0 0 82178 1 0 0 0 0 84179 1 0 0 0 0 84180 1 0 0 0 0 84181 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) > aibb55 > <MODEL> 1 $$$$