./dpa37(optimized).pdb OpenBabel12302119053D 125128 0 0 1 0 0 0 0 0999 V2000 -5.2500 7.6180 5.1530 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3630 7.1800 4.3150 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8320 6.9830 2.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3720 6.1710 2.1290 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5710 8.1620 4.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1330 8.2530 5.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7100 7.7360 3.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7780 7.7480 2.5380 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.0980 7.7380 1.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5570 6.4710 0.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2550 6.2830 -0.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8390 8.8770 0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2850 10.2760 0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3480 10.6080 1.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6180 11.3240 0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7070 11.9420 1.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9790 12.6570 0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0210 12.9660 1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4330 5.5300 1.7660 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.0020 4.1970 1.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6200 3.2980 0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1150 2.2440 0.2760 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0060 3.6490 2.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 4.3040 3.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 5.5950 2.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2960 3.5470 4.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 6.1120 3.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 4.0810 4.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 5.3620 4.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8060 3.7320 0.1970 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6290 3.0870 -0.8250 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8020 3.0370 -2.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1410 2.2890 -3.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0240 3.7710 -0.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8490 3.6290 0.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8460 3.1750 -2.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7360 3.8580 -2.1620 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.8600 4.0310 -3.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 2.8740 -3.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 2.8860 -4.7320 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6760 5.2380 -3.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3960 6.5330 -3.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6000 6.6660 -2.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8560 7.6890 -4.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2140 7.9140 -2.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4750 8.9340 -4.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6520 9.0470 -3.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 1.7910 -2.9080 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.6090 0.5290 -3.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7470 -0.1570 -4.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 -0.9360 -4.8740 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -0.1030 -2.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 0.4170 -0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 1.7910 -0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -0.5150 0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 2.2110 0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 -0.0880 1.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 1.2740 1.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7540 0.2650 -5.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9680 -0.2010 -6.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2640 7.4320 6.3210 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0830 6.9060 5.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9490 7.1870 6.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 7.7890 5.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6810 5.6840 6.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 7.9220 7.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9050 5.7950 4.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3350 8.5210 5.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6970 6.1870 4.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2350 9.1750 4.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4940 7.2590 6.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3730 8.6160 6.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9820 8.9680 5.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0770 6.7200 3.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5560 8.4520 3.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3750 7.7390 2.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4720 8.5030 3.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2190 8.7800 -0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9320 9.8620 2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8050 11.1130 -0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5260 12.1800 2.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4490 13.4510 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3010 13.9980 1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4690 5.8380 2.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 2.5770 2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9570 6.1880 2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6130 2.5350 4.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9810 7.1000 3.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 3.4930 5.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1090 5.7710 5.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2220 4.5870 0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7940 2.0350 -0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8760 4.8520 -1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0440 2.5570 0.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3320 4.0660 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8250 4.1510 0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0070 2.0860 -1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8360 3.6770 -2.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3470 3.3430 -3.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5790 4.5360 -1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9220 5.2830 -4.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0950 5.8300 -2.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 7.6320 -4.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1340 8.0000 -2.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0430 9.8110 -4.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1320 10.0100 -3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6240 1.8610 -1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 -1.1110 -2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.5530 -1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 -1.5790 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 3.2680 0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 -0.8150 2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 1.6030 2.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8560 0.3090 -6.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 0.0180 -7.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1580 -1.2950 -6.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 8.8830 5.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 7.6220 5.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 7.3540 4.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3560 5.2780 7.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8380 5.1090 5.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 5.5180 7.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3240 7.5380 8.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 7.7840 8.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 9.0110 7.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 62 1 0 0 0 0 1 68 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 69 1 1 0 0 0 3 4 2 0 0 0 0 3 8 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 70 1 0 0 0 0 6 71 1 0 0 0 0 6 72 1 0 0 0 0 6 73 1 0 0 0 0 7 74 1 0 0 0 0 7 75 1 0 0 0 0 7 76 1 0 0 0 0 8 9 2 0 0 0 0 8 77 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 12 13 1 0 0 0 0 12 78 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 79 1 0 0 0 0 15 17 2 0 0 0 0 15 80 1 0 0 0 0 16 18 2 0 0 0 0 16 81 1 0 0 0 0 17 18 1 0 0 0 0 17 82 1 0 0 0 0 18 83 1 0 0 0 0 19 20 2 0 0 0 0 19 84 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 0 0 0 0 21 30 1 0 0 0 0 23 24 1 0 0 0 0 23 85 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 86 1 0 0 0 0 26 28 2 0 0 0 0 26 87 1 0 0 0 0 27 29 2 0 0 0 0 27 88 1 0 0 0 0 28 29 1 0 0 0 0 28 89 1 0 0 0 0 29 90 1 0 0 0 0 30 31 1 0 0 0 0 30 91 1 0 0 0 0 31 32 1 0 0 0 0 31 34 1 0 0 0 0 31 92 1 1 0 0 0 32 33 2 0 0 0 0 32 37 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 93 1 0 0 0 0 35 94 1 0 0 0 0 35 95 1 0 0 0 0 35 96 1 0 0 0 0 36 97 1 0 0 0 0 36 98 1 0 0 0 0 36 99 1 0 0 0 0 37 38 2 0 0 0 0 37100 1 0 0 0 0 38 39 1 0 0 0 0 38 41 1 0 0 0 0 39 40 2 0 0 0 0 39 48 1 0 0 0 0 41 42 1 0 0 0 0 41101 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 43102 1 0 0 0 0 44 46 2 0 0 0 0 44103 1 0 0 0 0 45 47 2 0 0 0 0 45104 1 0 0 0 0 46 47 1 0 0 0 0 46105 1 0 0 0 0 47106 1 0 0 0 0 48 49 2 0 0 0 0 48107 1 0 0 0 0 49 50 1 0 0 0 0 49 52 1 0 0 0 0 50 51 2 0 0 0 0 50 59 1 0 0 0 0 52 53 1 0 0 0 0 52108 1 0 0 0 0 53 54 2 0 0 0 0 53 55 1 0 0 0 0 54 56 1 0 0 0 0 54109 1 0 0 0 0 55 57 2 0 0 0 0 55110 1 0 0 0 0 56 58 2 0 0 0 0 56111 1 0 0 0 0 57 58 1 0 0 0 0 57112 1 0 0 0 0 58113 1 0 0 0 0 59 60 1 0 0 0 0 60114 1 0 0 0 0 60115 1 0 0 0 0 60116 1 0 0 0 0 61 62 1 0 0 0 0 61 63 1 0 0 0 0 62 67 2 0 0 0 0 63 64 1 0 0 0 0 63 65 1 0 0 0 0 63 66 1 0 0 0 0 64117 1 0 0 0 0 64118 1 0 0 0 0 64119 1 0 0 0 0 65120 1 0 0 0 0 65121 1 0 0 0 0 65122 1 0 0 0 0 66123 1 0 0 0 0 66124 1 0 0 0 0 66125 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) > dpab38 > <MODEL> 1 > <COMPND> UNNAMED > <AUTHOR> GENERATED BY OPEN BABEL 2.3.90 > <MASTER> 0 0 0 0 0 0 0 0 125 0 125 0 $$$$