./aib24.pdb OpenBabel11132113493D 140139 0 0 1 0 0 0 0 0999 V2000 -0.9520 2.3780 12.8880 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 3.2510 12.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2570 2.4480 11.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 2.8080 10.9390 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 4.3310 11.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4320 1.2690 12.5080 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 0.2550 12.1150 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1360 -0.1780 10.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9930 -0.4240 9.8620 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2950 -0.9270 13.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5650 -0.4940 14.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 -1.9690 12.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 -0.2700 10.4570 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -0.6640 9.1850 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5590 0.3620 8.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8070 0.1210 6.9620 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -0.7640 9.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 1.5990 8.6410 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 2.8200 7.8890 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2930 2.9010 7.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7840 3.3830 6.5730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 4.0100 8.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0520 3.9290 9.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 3.9100 7.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4630 5.1210 9.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0290 2.3790 8.5720 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4870 2.3030 8.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9720 1.6880 7.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8620 2.1420 6.5980 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0580 3.6830 8.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3150 0.5640 7.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5450 -0.2750 5.8480 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0030 0.4110 4.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5160 0.3870 3.5160 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8530 -1.5920 6.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3960 -2.2770 7.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0900 -2.4530 4.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8730 1.0680 4.8920 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 1.8370 3.9250 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8810 3.0400 3.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8160 3.5690 2.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 2.2810 4.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6810 3.4830 4.4630 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5760 4.6330 4.3650 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9430 4.1690 3.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 4.7390 3.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6560 5.3200 5.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2890 5.7830 6.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7600 6.7410 5.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3680 6.4700 7.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2910 3.0430 4.5820 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5550 2.3340 4.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6940 3.3030 4.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6460 3.4340 3.7670 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6840 1.2760 5.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5270 4.0550 5.6470 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 3.8710 13.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9290 1.4590 9.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5880 1.6940 3.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5510 1.5410 12.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6730 0.7920 12.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 1.4200 10.8680 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5830 4.9390 5.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 2.5090 13.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 4.9830 11.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 3.8800 10.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 4.9150 12.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 0.9350 13.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 0.6730 12.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -1.3440 12.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5700 -0.0770 14.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 0.2630 14.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 -1.3530 15.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -1.5510 12.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2150 -2.8280 13.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0990 -2.2840 11.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -0.0770 11.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 -1.6320 8.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7010 -1.0590 8.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4940 -1.5100 10.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 0.2030 9.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 1.8410 9.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 2.8060 6.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 4.9220 8.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 4.0240 9.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 3.0170 9.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 4.8220 7.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5270 3.0450 7.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8920 3.8510 7.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 6.0320 9.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5280 5.0620 10.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 5.1340 10.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6690 1.9730 9.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1470 3.6260 8.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7370 4.2960 7.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7060 4.1300 9.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5780 0.1550 7.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6160 -0.4410 5.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -1.4260 6.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4660 -2.4430 7.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2240 -1.6520 8.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8930 -3.2350 7.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1600 -2.6200 4.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5870 -3.4110 4.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 -1.9560 3.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 1.1150 5.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8760 1.2140 3.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 2.8550 3.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 1.4080 4.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 2.9040 5.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7660 3.0780 5.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1910 5.3290 3.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3240 6.1770 5.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0400 4.6230 6.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 4.9250 6.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4280 7.6000 5.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 6.2430 4.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7670 7.0780 5.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0360 7.3280 7.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 6.8070 7.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7520 5.7740 8.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7230 2.5430 5.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6270 0.7460 5.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6610 1.7420 6.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8570 0.5720 5.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5430 4.5230 13.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 4.4550 14.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 3.0870 14.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0180 1.4030 9.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5780 1.9070 10.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 0.4570 9.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 1.1640 2.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7600 0.9890 2.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4940 2.4620 2.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7540 1.0990 13.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6070 1.0110 12.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 -0.2780 12.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4650 5.5510 6.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5180 4.3820 5.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5990 5.5800 4.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 60 1 0 0 0 0 1 64 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 57 1 0 0 0 0 3 4 2 0 0 0 0 3 6 1 0 0 0 0 5 65 1 0 0 0 0 5 66 1 0 0 0 0 5 67 1 0 0 0 0 6 7 1 0 0 0 0 6 68 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 69 1 1 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 70 1 0 0 0 0 11 71 1 0 0 0 0 11 72 1 0 0 0 0 11 73 1 0 0 0 0 12 74 1 0 0 0 0 12 75 1 0 0 0 0 12 76 1 0 0 0 0 13 14 1 0 0 0 0 13 77 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 78 1 6 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 17 79 1 0 0 0 0 17 80 1 0 0 0 0 17 81 1 0 0 0 0 18 19 1 0 0 0 0 18 82 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 19 83 1 6 0 0 0 20 21 2 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 22 84 1 0 0 0 0 22 85 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 86 1 0 0 0 0 24 87 1 0 0 0 0 24 88 1 0 0 0 0 24 89 1 0 0 0 0 25 90 1 0 0 0 0 25 91 1 0 0 0 0 25 92 1 0 0 0 0 26 27 1 0 0 0 0 26 93 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 27 58 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 30 94 1 0 0 0 0 30 95 1 0 0 0 0 30 96 1 0 0 0 0 31 32 1 0 0 0 0 31 97 1 0 0 0 0 32 33 1 0 0 0 0 32 35 1 0 0 0 0 32 98 1 6 0 0 0 33 34 2 0 0 0 0 33 38 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 99 1 0 0 0 0 36100 1 0 0 0 0 36101 1 0 0 0 0 36102 1 0 0 0 0 37103 1 0 0 0 0 37104 1 0 0 0 0 37105 1 0 0 0 0 38 39 1 0 0 0 0 38106 1 0 0 0 0 39 40 1 0 0 0 0 39 42 1 0 0 0 0 39107 1 6 0 0 0 40 41 2 0 0 0 0 40 43 1 0 0 0 0 42108 1 0 0 0 0 42109 1 0 0 0 0 42110 1 0 0 0 0 43 44 1 0 0 0 0 43111 1 0 0 0 0 44 45 1 0 0 0 0 44 47 1 0 0 0 0 44112 1 6 0 0 0 45 46 2 0 0 0 0 45 51 1 0 0 0 0 47 48 1 0 0 0 0 47113 1 0 0 0 0 47114 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 48115 1 0 0 0 0 49116 1 0 0 0 0 49117 1 0 0 0 0 49118 1 0 0 0 0 50119 1 0 0 0 0 50120 1 0 0 0 0 50121 1 0 0 0 0 51 52 1 0 0 0 0 51122 1 0 0 0 0 52 53 1 0 0 0 0 52 55 1 0 0 0 0 52 59 1 0 0 0 0 53 54 2 0 0 0 0 53 56 1 0 0 0 0 55123 1 0 0 0 0 55124 1 0 0 0 0 55125 1 0 0 0 0 56 63 1 0 0 0 0 57126 1 0 0 0 0 57127 1 0 0 0 0 57128 1 0 0 0 0 58129 1 0 0 0 0 58130 1 0 0 0 0 58131 1 0 0 0 0 59132 1 0 0 0 0 59133 1 0 0 0 0 59134 1 0 0 0 0 60 61 1 0 0 0 0 60 62 2 0 0 0 0 61135 1 0 0 0 0 61136 1 0 0 0 0 61137 1 0 0 0 0 63138 1 0 0 0 0 63139 1 0 0 0 0 63140 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) > aibb35 > <MODEL> 1 $$$$