Minimised_ligand (5abp) binding protein DSViewer 3D 0 17 17 0 0 0 0 0 0 0 0999 V2000 14.2245 57.1519 55.4288 C 0 0 0 0 0 0 0 0 0 1 12.8792 57.1128 54.6563 C 0 0 0 0 0 0 0 0 0 2 12.9577 56.0361 53.5444 C 0 0 0 0 0 0 0 0 0 3 14.2139 56.2430 52.6567 C 0 0 0 0 0 0 0 0 0 4 15.4787 56.3237 53.5527 C 0 0 0 0 0 0 0 0 0 5 16.7483 56.6271 52.7162 C 0 0 0 0 0 0 0 0 0 6 14.4302 55.9360 56.1700 O 0 0 0 0 0 0 0 0 0 7 15.3023 55.8838 56.5471 H 0 0 0 0 0 0 0 0 0 8 11.7947 56.7781 55.5394 O 0 0 0 0 0 0 0 0 0 9 11.6709 57.4206 56.2310 H 0 0 0 0 0 0 0 0 0 10 11.7640 56.0209 52.7449 O 0 0 0 0 0 0 0 0 0 11 10.9946 55.7844 53.2517 H 0 0 0 0 0 0 0 0 0 12 14.0909 57.4025 51.8157 O 0 0 0 0 0 0 0 0 0 13 13.3735 57.3413 51.1955 H 0 0 0 0 0 0 0 0 0 14 15.3291 57.3716 54.5301 O 0 0 0 0 0 0 0 0 0 15 17.8356 56.9940 53.5815 O 0 0 0 0 0 0 0 0 0 16 18.0536 56.3012 54.1971 H 0 0 0 0 0 0 0 0 0 17 1 2 1 0 0 0 1 7 1 0 0 0 1 15 1 0 0 0 2 3 1 0 0 0 2 9 1 0 0 0 3 4 1 0 0 0 3 11 1 0 0 0 4 5 1 0 0 0 4 13 1 0 0 0 5 6 1 0 0 0 5 15 1 0 0 0 6 16 1 0 0 0 7 8 1 0 0 0 9 10 1 0 0 0 11 12 1 0 0 0 13 14 1 0 0 0 16 17 1 0 0 0 M END > 0 > 12 > -1.21535 > 0.795223 > 0 > 0.684283 > rDock ($Id: //depot/dev/client3/rdock/2006.1/src/exe/rDock.cxx#4 $) > 0 > -2.77843 > -33.3411 > -4.68586 > -0.78644 > /y/programs/rdock/2006.2_release_FC3/data/scripts/dock.prm > 0 > 0 > -0.390489 > 1 > -6.6506 > -3.13805 > 0.469784 > 0.370405 > /biol/people/mres/vnlr500/testinstallrdock/testing > Corina 3.00 0048 17.06.2003 > -77.12490803,175.13909550,-179.69708287 > 0 > 1.50273e+008 > 171.58706786,62.14644465,-63.22911805,-62.51874804,166.99053485,60.08711356 14.30334170,56.67122901,53.93024352,-2.92253030,-0.07454897,-1.56538495 > -1.13768 > -37.6566 > 0 > 0.0308671 > libRbt.so (2006.1, Build901 2006/09/27) > 1 > -17.1291 > 5abp.prm > 0.0282636 > 0 > 0 > 0 $$$$ Minimised_ligand (5abp) binding protein DSViewer 3D 0 17 17 0 0 0 0 0 0 0 0999 V2000 14.3704 56.9846 55.5207 C 0 0 0 0 0 0 0 0 0 1 12.9677 57.2103 54.8964 C 0 0 0 0 0 0 0 0 0 2 12.7934 56.2726 53.6749 C 0 0 0 0 0 0 0 0 0 3 13.9796 56.4213 52.6852 C 0 0 0 0 0 0 0 0 0 4 15.3200 56.2321 53.4444 C 0 0 0 0 0 0 0 0 0 5 16.5375 56.4679 52.5141 C 0 0 0 0 0 0 0 0 0 6 14.4718 55.6728 56.1029 O 0 0 0 0 0 0 0 0 0 7 15.3156 55.5234 56.5168 H 0 0 0 0 0 0 0 0 0 8 11.9326 56.9143 55.8498 O 0 0 0 0 0 0 0 0 0 9 11.0599 57.0929 55.5136 H 0 0 0 0 0 0 0 0 0 10 11.5411 56.5056 53.0102 O 0 0 0 0 0 0 0 0 0 11 10.8130 56.0886 53.4584 H 0 0 0 0 0 0 0 0 0 12 13.9428 57.6788 51.9894 O 0 0 0 0 0 0 0 0 0 13 13.1926 57.7662 51.4126 H 0 0 0 0 0 0 0 0 0 14 15.4079 57.1665 54.5375 O 0 0 0 0 0 0 0 0 0 15 17.7617 56.2928 53.2464 O 0 0 0 0 0 0 0 0 0 16 17.7625 56.7787 54.0651 H 0 0 0 0 0 0 0 0 0 17 1 2 1 0 0 0 1 7 1 0 0 0 1 15 1 0 0 0 2 3 1 0 0 0 2 9 1 0 0 0 3 4 1 0 0 0 3 11 1 0 0 0 4 5 1 0 0 0 4 13 1 0 0 0 5 6 1 0 0 0 5 15 1 0 0 0 6 16 1 0 0 0 7 8 1 0 0 0 9 10 1 0 0 0 11 12 1 0 0 0 13 14 1 0 0 0 16 17 1 0 0 0 M END > 0 > 12 > -1.26453 > 1.14652 > 0 > 2.11446 > rDock ($Id: //depot/dev/client3/rdock/2006.1/src/exe/rDock.cxx#4 $) > 0 > -2.70097 > -32.4116 > -4.86028 > -0.78644 > /y/programs/rdock/2006.2_release_FC3/data/scripts/dock.prm > 0 > 0 > -0.405023 > 1 > -6.25088 > -3.02536 > 0.469784 > 0.967489 > /biol/people/mres/vnlr500/testinstallrdock/testing > Corina 3.00 0048 17.06.2003 > 74.15207099,170.19736145,66.52182046 > 0 > 1.50273e+008 > -178.14531529,176.57610326,-79.45532174,-65.43168876,179.69055390,-49.24839921 14.24001257,56.65587467,53.97112193,-2.84356369,0.08610437,-1.45066126 > -1.22618 > -36.3044 > 0 > 0.0806241 > libRbt.so (2006.1, Build901 2006/09/27) > 1 > -17.7444 > 5abp.prm > -0.0330552 > 0 > -0.0166729 > 0.0371592 $$$$ Minimised_ligand (5abp) binding protein DSViewer 3D 0 17 17 0 0 0 0 0 0 0 0999 V2000 14.5483 56.6674 55.4300 C 0 0 0 0 0 0 0 0 0 1 13.1361 56.7795 54.7963 C 0 0 0 0 0 0 0 0 0 2 13.0818 55.9176 53.5096 C 0 0 0 0 0 0 0 0 0 3 14.2546 56.2676 52.5552 C 0 0 0 0 0 0 0 0 0 4 15.5993 56.1751 53.3248 C 0 0 0 0 0 0 0 0 0 5 16.7928 56.6107 52.4364 C 0 0 0 0 0 0 0 0 0 6 14.7899 55.3369 55.9214 O 0 0 0 0 0 0 0 0 0 7 14.7285 54.6799 55.2357 H 0 0 0 0 0 0 0 0 0 8 12.1303 56.3030 55.7071 O 0 0 0 0 0 0 0 0 0 9 11.2473 56.3981 55.3637 H 0 0 0 0 0 0 0 0 0 10 11.8186 56.0566 52.8390 O 0 0 0 0 0 0 0 0 0 11 11.0986 55.7056 53.3521 H 0 0 0 0 0 0 0 0 0 12 14.0844 57.5595 51.9480 O 0 0 0 0 0 0 0 0 0 13 14.7704 57.7750 51.3267 H 0 0 0 0 0 0 0 0 0 14 15.5695 57.0333 54.4817 O 0 0 0 0 0 0 0 0 0 15 17.0628 55.6077 51.4430 O 0 0 0 0 0 0 0 0 0 16 17.4574 54.8273 51.8193 H 0 0 0 0 0 0 0 0 0 17 1 2 1 0 0 0 1 7 1 0 0 0 1 15 1 0 0 0 2 3 1 0 0 0 2 9 1 0 0 0 3 4 1 0 0 0 3 11 1 0 0 0 4 5 1 0 0 0 4 13 1 0 0 0 5 6 1 0 0 0 5 15 1 0 0 0 6 16 1 0 0 0 7 8 1 0 0 0 9 10 1 0 0 0 11 12 1 0 0 0 13 14 1 0 0 0 16 17 1 0 0 0 M END > 0 > 12 > -1.31368 > 0.23245 > 0 > 1.1216 > rDock ($Id: //depot/dev/client3/rdock/2006.1/src/exe/rDock.cxx#4 $) > 0 > -2.29984 > -27.598 > -4.75146 > -0.78644 > /y/programs/rdock/2006.2_release_FC3/data/scripts/dock.prm > 0 > 0 > -0.395955 > 1 > -4.82448 > -2.61785 > 0.469784 > 0.935305 > /biol/people/mres/vnlr500/testinstallrdock/testing > Corina 3.00 0048 17.06.2003 > -179.43512124,173.17175906,179.48104339 > 0 > 1.50273e+008 > 59.32819294,177.19322882,-65.76126595,-177.15335595,-72.37193087,-72.07226456 14.38761579,56.34317676,53.68684720,-2.50049156,0.06825682,-1.46937075 > -1.04529 > -31.4142 > 0 > 0.0779421 > libRbt.so (2006.1, Build901 2006/09/27) > 1 > -17.5948 > 5abp.prm > 0.374503 > 0 > 0 > 0 $$$$ Minimised_ligand (5abp) binding protein DSViewer 3D 0 17 17 0 0 0 0 0 0 0 0999 V2000 14.2405 57.0018 55.3602 C 0 0 0 0 0 0 0 0 0 1 12.9187 56.9236 54.5508 C 0 0 0 0 0 0 0 0 0 2 13.0836 55.9013 53.3977 C 0 0 0 0 0 0 0 0 0 3 14.3480 56.2135 52.5535 C 0 0 0 0 0 0 0 0 0 4 15.5840 56.3235 53.4857 C 0 0 0 0 0 0 0 0 0 5 16.8552 56.7304 52.6971 C 0 0 0 0 0 0 0 0 0 6 14.4943 55.7680 56.0555 O 0 0 0 0 0 0 0 0 0 7 15.3175 55.7829 56.5327 H 0 0 0 0 0 0 0 0 0 8 11.8329 56.4934 55.3898 O 0 0 0 0 0 0 0 0 0 9 11.6409 57.1101 56.0893 H 0 0 0 0 0 0 0 0 0 10 11.9125 55.8563 52.5664 O 0 0 0 0 0 0 0 0 0 11 11.1388 55.5862 53.0494 H 0 0 0 0 0 0 0 0 0 12 14.1822 57.3996 51.7583 O 0 0 0 0 0 0 0 0 0 13 13.4487 57.3479 51.1564 H 0 0 0 0 0 0 0 0 0 14 15.3532 57.3189 54.5014 O 0 0 0 0 0 0 0 0 0 15 17.1765 55.7244 51.7222 O 0 0 0 0 0 0 0 0 0 16 17.4787 54.9170 52.1262 H 0 0 0 0 0 0 0 0 0 17 1 2 1 0 0 0 1 7 1 0 0 0 1 15 1 0 0 0 2 3 1 0 0 0 2 9 1 0 0 0 3 4 1 0 0 0 3 11 1 0 0 0 4 5 1 0 0 0 4 13 1 0 0 0 5 6 1 0 0 0 5 15 1 0 0 0 6 16 1 0 0 0 7 8 1 0 0 0 9 10 1 0 0 0 11 12 1 0 0 0 13 14 1 0 0 0 16 17 1 0 0 0 M END > 0 > 12 > -1.31108 > 1.44571 > 0 > 0.196697 > rDock ($Id: //depot/dev/client3/rdock/2006.1/src/exe/rDock.cxx#4 $) > 0 > -2.65383 > -31.846 > -4.80034 > -0.78644 > /y/programs/rdock/2006.2_release_FC3/data/scripts/dock.prm > 0 > 0 > -0.400028 > 1 > -6.18122 > -3.04775 > 0.469784 > 0.0733658 > /biol/people/mres/vnlr500/testinstallrdock/testing > Corina 3.00 0048 17.06.2003 > 40.20401317,169.22335073,-179.32720997 > 0 > 1.50273e+008 > 177.85925608,63.77166057,-61.23989843,-58.75037293,-62.36615112,-69.25299870 14.31399543,56.45925037,53.66740586,-2.57407765,-0.01313042,-1.60922060 > -1.23886 > -36.573 > 0 > 0.00611382 > libRbt.so (2006.1, Build901 2006/09/27) > 1 > -17.2298 > 5abp.prm > -0.0249826 > 0 > 0 > 0 $$$$ Minimised_ligand (5abp) binding protein DSViewer 3D 0 17 17 0 0 0 0 0 0 0 0999 V2000 14.1970 57.1710 55.4688 C 0 0 0 0 0 0 0 0 0 1 12.8655 57.1399 54.6722 C 0 0 0 0 0 0 0 0 0 2 12.9494 56.0475 53.5762 C 0 0 0 0 0 0 0 0 0 3 14.2242 56.2255 52.7091 C 0 0 0 0 0 0 0 0 0 4 15.4736 56.3010 53.6269 C 0 0 0 0 0 0 0 0 0 5 16.7622 56.5759 52.8100 C 0 0 0 0 0 0 0 0 0 6 14.3724 55.9624 56.2294 O 0 0 0 0 0 0 0 0 0 7 15.2690 55.8476 56.5269 H 0 0 0 0 0 0 0 0 0 8 11.7607 56.8316 55.5396 O 0 0 0 0 0 0 0 0 0 9 11.6315 57.4863 56.2188 H 0 0 0 0 0 0 0 0 0 10 11.7703 56.0378 52.7551 O 0 0 0 0 0 0 0 0 0 11 10.9928 55.7924 53.2452 H 0 0 0 0 0 0 0 0 0 12 14.1325 57.3752 51.8508 O 0 0 0 0 0 0 0 0 0 13 13.4002 57.3345 51.2466 H 0 0 0 0 0 0 0 0 0 14 15.3207 57.3637 54.5877 O 0 0 0 0 0 0 0 0 0 15 17.8227 56.9963 53.6843 O 0 0 0 0 0 0 0 0 0 16 17.4980 57.4929 54.4289 H 0 0 0 0 0 0 0 0 0 17 1 2 1 0 0 0 1 7 1 0 0 0 1 15 1 0 0 0 2 3 1 0 0 0 2 9 1 0 0 0 3 4 1 0 0 0 3 11 1 0 0 0 4 5 1 0 0 0 4 13 1 0 0 0 5 6 1 0 0 0 5 15 1 0 0 0 6 16 1 0 0 0 7 8 1 0 0 0 9 10 1 0 0 0 11 12 1 0 0 0 13 14 1 0 0 0 16 17 1 0 0 0 M END > 0 > 12 > -1.26211 > 1.2418 > 0 > 4.91505 > rDock ($Id: //depot/dev/client3/rdock/2006.1/src/exe/rDock.cxx#4 $) > 0 > -2.76727 > -33.2072 > -4.62789 > -0.78644 > /y/programs/rdock/2006.2_release_FC3/data/scripts/dock.prm > 0 > 0 > -0.385658 > 1 > -6.84448 > -2.98741 > 0.469784 > 1.98619 > /biol/people/mres/vnlr500/testinstallrdock/testing > Corina 3.00 0048 17.06.2003 > -80.20434978,172.06124149,178.18161880 > 0 > 1.50273e+008 > 164.03550431,62.32494264,-64.98958989,-59.73466195,164.47440243,-32.56554412 14.29204960,56.68102979,53.97797464,-2.93874254,-0.07497735,-1.58357249 > -1.17255 > -35.8489 > 0 > 0.165516 > libRbt.so (2006.1, Build901 2006/09/27) > 1 > -16.3364 > 5abp.prm > 0.22428 > 0 > -0.204592 > 8.53346e-005 $$$$ Minimised_ligand (5abp) binding protein DSViewer 3D 0 17 17 0 0 0 0 0 0 0 0999 V2000 14.6969 56.4358 55.1569 C 0 0 0 0 0 0 0 0 0 1 13.2547 56.7820 54.7003 C 0 0 0 0 0 0 0 0 0 2 12.9529 56.0589 53.3633 C 0 0 0 0 0 0 0 0 0 3 14.0573 56.3488 52.3120 C 0 0 0 0 0 0 0 0 0 4 15.4496 56.0175 52.9125 C 0 0 0 0 0 0 0 0 0 5 16.5926 56.3831 51.9310 C 0 0 0 0 0 0 0 0 0 6 14.8075 55.0451 55.5091 O 0 0 0 0 0 0 0 0 0 7 14.2732 54.8179 56.2631 H 0 0 0 0 0 0 0 0 0 8 12.2936 56.3505 55.6791 O 0 0 0 0 0 0 0 0 0 9 12.2566 55.4031 55.7667 H 0 0 0 0 0 0 0 0 0 10 11.6574 56.4167 52.8552 O 0 0 0 0 0 0 0 0 0 11 10.9527 56.0176 53.3542 H 0 0 0 0 0 0 0 0 0 12 14.0000 57.7034 51.8339 O 0 0 0 0 0 0 0 0 0 13 13.2401 57.8772 51.2904 H 0 0 0 0 0 0 0 0 0 14 15.6546 56.7596 54.1303 O 0 0 0 0 0 0 0 0 0 15 17.8640 56.0184 52.4933 O 0 0 0 0 0 0 0 0 0 16 17.9608 55.0751 52.5793 H 0 0 0 0 0 0 0 0 0 17 1 2 1 0 0 0 1 7 1 0 0 0 1 15 1 0 0 0 2 3 1 0 0 0 2 9 1 0 0 0 3 4 1 0 0 0 3 11 1 0 0 0 4 5 1 0 0 0 4 13 1 0 0 0 5 6 1 0 0 0 5 15 1 0 0 0 6 16 1 0 0 0 7 8 1 0 0 0 9 10 1 0 0 0 11 12 1 0 0 0 13 14 1 0 0 0 16 17 1 0 0 0 M END > 0 > 12 > -0.7818 > 0.261093 > 0 > 1.42185 > rDock ($Id: //depot/dev/client3/rdock/2006.1/src/exe/rDock.cxx#4 $) > 0 > -2.80857 > -33.7029 > -5.79944 > -0.78644 > /y/programs/rdock/2006.2_release_FC3/data/scripts/dock.prm > 0 > 0 > -0.483287 > 1 > -6.34573 > -3.23017 > 0.469784 > 0.740238 > /biol/people/mres/vnlr500/testinstallrdock/testing > Corina 3.00 0048 17.06.2003 > 67.06977677,62.82299886,64.44173175 > 0 > 1.50273e+008 > -64.42830247,-66.05443434,-73.11826948,-69.78896564,-177.81038545,66.57482700 14.42643565,56.34770965,53.58924796,-2.74130250,0.13680915,-1.28847675 > -1.51417 > -38.7621 > 0 > 0.0616865 > libRbt.so (2006.1, Build901 2006/09/27) > 1 > -18.5274 > 5abp.prm > 0.029314 > 0 > 0 > 0 $$$$ Minimised_ligand (5abp) binding protein DSViewer 3D 0 17 17 0 0 0 0 0 0 0 0999 V2000 14.2261 57.3273 55.4195 C 0 0 0 0 0 0 0 0 0 1 12.7426 57.5773 55.0384 C 0 0 0 0 0 0 0 0 0 2 12.2901 56.5085 54.0115 C 0 0 0 0 0 0 0 0 0 3 13.2699 56.4412 52.8096 C 0 0 0 0 0 0 0 0 0 4 14.7200 56.2491 53.3284 C 0 0 0 0 0 0 0 0 0 5 15.7463 56.2732 52.1667 C 0 0 0 0 0 0 0 0 0 6 14.3716 56.0957 56.1489 O 0 0 0 0 0 0 0 0 0 7 15.2740 55.9262 56.3989 H 0 0 0 0 0 0 0 0 0 8 11.8966 57.4829 56.1974 O 0 0 0 0 0 0 0 0 0 9 10.9808 57.6529 56.0001 H 0 0 0 0 0 0 0 0 0 10 10.9466 56.7493 53.5625 O 0 0 0 0 0 0 0 0 0 11 10.5168 55.9526 53.2706 H 0 0 0 0 0 0 0 0 0 12 13.1630 57.5999 51.9654 O 0 0 0 0 0 0 0 0 0 13 13.5701 57.4828 51.1147 H 0 0 0 0 0 0 0 0 0 14 15.0630 57.3049 54.2468 O 0 0 0 0 0 0 0 0 0 15 17.0805 56.1289 52.6812 O 0 0 0 0 0 0 0 0 0 16 17.7366 56.1674 51.9924 H 0 0 0 0 0 0 0 0 0 17 1 2 1 0 0 0 1 7 1 0 0 0 1 15 1 0 0 0 2 3 1 0 0 0 2 9 1 0 0 0 3 4 1 0 0 0 3 11 1 0 0 0 4 5 1 0 0 0 4 13 1 0 0 0 5 6 1 0 0 0 5 15 1 0 0 0 6 16 1 0 0 0 7 8 1 0 0 0 9 10 1 0 0 0 11 12 1 0 0 0 13 14 1 0 0 0 16 17 1 0 0 0 M END > 0 > 12 > -0.81432 > 0.235249 > 0 > 3.5936 > rDock ($Id: //depot/dev/client3/rdock/2006.1/src/exe/rDock.cxx#4 $) > 0 > -2.82955 > -33.9546 > -5.80772 > -0.78644 > /y/programs/rdock/2006.2_release_FC3/data/scripts/dock.prm > 0 > 0 > -0.483977 > 1 > -6.92662 > -3.16252 > 0.469784 > 1.81209 > /biol/people/mres/vnlr500/testinstallrdock/testing > Corina 3.00 0048 17.06.2003 > 53.47910111,59.79032849,65.11675930 > 0 > 1.50273e+008 > -179.53781570,178.58483175,-154.04846820,-164.55022624,178.47060902,-178.20485212 13.79508986,56.81175036,53.96554499,-2.63666527,0.15224840,-1.61061337 > -1.50324 > -37.9502 > 0 > 0.151007 > libRbt.so (2006.1, Build901 2006/09/27) > 1 > -16.8277 > 5abp.prm > 0.0152842 > 0 > 0 > 0.00472745 $$$$ Minimised_ligand (5abp) binding protein DSViewer 3D 0 17 17 0 0 0 0 0 0 0 0999 V2000 14.6719 57.0500 55.5247 C 0 0 0 0 0 0 0 0 0 1 13.3120 57.5942 55.0123 C 0 0 0 0 0 0 0 0 0 2 12.8126 56.7076 53.8435 C 0 0 0 0 0 0 0 0 0 3 13.9069 56.5553 52.7534 C 0 0 0 0 0 0 0 0 0 4 15.2272 56.0633 53.4041 C 0 0 0 0 0 0 0 0 0 5 16.3776 55.9890 52.3675 C 0 0 0 0 0 0 0 0 0 6 14.5126 55.7603 56.1423 O 0 0 0 0 0 0 0 0 0 7 15.3155 55.4505 56.5484 H 0 0 0 0 0 0 0 0 0 8 12.3260 57.5670 56.0587 O 0 0 0 0 0 0 0 0 0 9 11.4728 57.8753 55.7694 H 0 0 0 0 0 0 0 0 0 10 11.5963 57.2226 53.2780 O 0 0 0 0 0 0 0 0 0 11 11.7059 58.1001 52.9277 H 0 0 0 0 0 0 0 0 0 12 14.1056 57.7753 52.0192 O 0 0 0 0 0 0 0 0 0 13 13.3886 57.9792 51.4299 H 0 0 0 0 0 0 0 0 0 14 15.6307 56.9655 54.4524 O 0 0 0 0 0 0 0 0 0 15 17.6340 55.7861 53.0355 O 0 0 0 0 0 0 0 0 0 16 17.7686 56.4088 53.7430 H 0 0 0 0 0 0 0 0 0 17 1 2 1 0 0 0 1 7 1 0 0 0 1 15 1 0 0 0 2 3 1 0 0 0 2 9 1 0 0 0 3 4 1 0 0 0 3 11 1 0 0 0 4 5 1 0 0 0 4 13 1 0 0 0 5 6 1 0 0 0 5 15 1 0 0 0 6 16 1 0 0 0 7 8 1 0 0 0 9 10 1 0 0 0 11 12 1 0 0 0 13 14 1 0 0 0 16 17 1 0 0 0 M END > 0 > 12 > -1.33233 > 1.47808 > 0 > 1.40171 > rDock ($Id: //depot/dev/client3/rdock/2006.1/src/exe/rDock.cxx#4 $) > 0 > -2.36656 > -28.3987 > -4.83253 > -0.78644 > /y/programs/rdock/2006.2_release_FC3/data/scripts/dock.prm > 0 > 0 > -0.40271 > 1 > -6.05117 > -2.71862 > 0.469784 > 0.607801 > /biol/people/mres/vnlr500/testinstallrdock/testing > Corina 3.00 0048 17.06.2003 > 46.80885764,165.96647612,65.24293759 > 0 > 1.50273e+008 > -173.69374961,-178.57959255,60.46329636,-71.92424929,168.84412638,-50.49961941 14.33846916,56.76944095,54.00169650,-2.78029777,0.31352951,-1.48139774 > -1.24683 > -32.6234 > 0 > 0.0506501 > libRbt.so (2006.1, Build901 2006/09/27) > 1 > -14.2431 > 5abp.prm > 0.0711054 > 0 > -0.0482815 > 0.00368618 $$$$ Minimised_ligand (5abp) binding protein DSViewer 3D 0 17 17 0 0 0 0 0 0 0 0999 V2000 14.4149 57.2402 55.6293 C 0 0 0 0 0 0 0 0 0 1 13.0018 57.5634 55.0751 C 0 0 0 0 0 0 0 0 0 2 12.6470 56.5526 53.9551 C 0 0 0 0 0 0 0 0 0 3 13.7693 56.4912 52.8848 C 0 0 0 0 0 0 0 0 0 4 15.1337 56.2220 53.5738 C 0 0 0 0 0 0 0 0 0 5 16.3001 56.2483 52.5528 C 0 0 0 0 0 0 0 0 0 6 14.4230 55.9774 56.3188 O 0 0 0 0 0 0 0 0 0 7 15.3029 55.6895 56.5388 H 0 0 0 0 0 0 0 0 0 8 12.0120 57.4597 56.1131 O 0 0 0 0 0 0 0 0 0 9 11.1354 57.6741 55.8092 H 0 0 0 0 0 0 0 0 0 10 11.3811 56.8636 53.3508 O 0 0 0 0 0 0 0 0 0 11 10.8947 56.0817 53.1125 H 0 0 0 0 0 0 0 0 0 12 13.8116 57.6839 52.0833 O 0 0 0 0 0 0 0 0 0 13 13.0906 57.7475 51.4675 H 0 0 0 0 0 0 0 0 0 14 15.3933 57.2282 54.5717 O 0 0 0 0 0 0 0 0 0 15 16.5087 57.5872 52.0735 O 0 0 0 0 0 0 0 0 0 16 17.2488 57.6434 51.4773 H 0 0 0 0 0 0 0 0 0 17 1 2 1 0 0 0 1 7 1 0 0 0 1 15 1 0 0 0 2 3 1 0 0 0 2 9 1 0 0 0 3 4 1 0 0 0 3 11 1 0 0 0 4 5 1 0 0 0 4 13 1 0 0 0 5 6 1 0 0 0 5 15 1 0 0 0 6 16 1 0 0 0 7 8 1 0 0 0 9 10 1 0 0 0 11 12 1 0 0 0 13 14 1 0 0 0 16 17 1 0 0 0 M END > 0 > 12 > -1.3245 > 0.843386 > 0 > 5.90254 > rDock ($Id: //depot/dev/client3/rdock/2006.1/src/exe/rDock.cxx#4 $) > 0 > -2.91538 > -34.9845 > -4.80833 > -0.78644 > /y/programs/rdock/2006.2_release_FC3/data/scripts/dock.prm > 0 > 0 > -0.400694 > 1 > -7.74346 > -3.0801 > 0.469784 > 2.83168 > /biol/people/mres/vnlr500/testinstallrdock/testing > Corina 3.00 0048 17.06.2003 > 53.59358651,168.35238014,64.32421609 > 0 > 1.50273e+008 > 170.35595454,178.53859708,-143.88552083,-72.84842616,69.33968484,177.07842144 14.04962799,56.94435923,54.00460100,-2.46642697,0.08390538,-1.47182039 > -1.14868 > -36.9612 > 0 > 0.235973 > libRbt.so (2006.1, Build901 2006/09/27) > 1 > -15.0568 > 5abp.prm > -0.11959 > 0 > 0 > 0 $$$$ Minimised_ligand (5abp) binding protein DSViewer 3D 0 17 17 0 0 0 0 0 0 0 0999 V2000 14.2156 57.1680 55.4072 C 0 0 0 0 0 0 0 0 0 1 12.8791 57.1499 54.6187 C 0 0 0 0 0 0 0 0 0 2 12.9516 56.0674 53.5120 C 0 0 0 0 0 0 0 0 0 3 14.2218 56.2482 52.6388 C 0 0 0 0 0 0 0 0 0 4 15.4771 56.3097 53.5495 C 0 0 0 0 0 0 0 0 0 5 16.7618 56.5869 52.7273 C 0 0 0 0 0 0 0 0 0 6 14.3905 55.9516 56.1555 O 0 0 0 0 0 0 0 0 0 7 15.2616 55.8787 56.5315 H 0 0 0 0 0 0 0 0 0 8 11.7783 56.8382 55.4900 O 0 0 0 0 0 0 0 0 0 9 11.8579 55.9785 55.8912 H 0 0 0 0 0 0 0 0 0 10 11.7674 56.0704 52.6982 O 0 0 0 0 0 0 0 0 0 11 10.9863 55.8610 53.1991 H 0 0 0 0 0 0 0 0 0 12 14.1298 57.4062 51.7918 O 0 0 0 0 0 0 0 0 0 13 13.3979 57.3708 51.1867 H 0 0 0 0 0 0 0 0 0 14 15.3347 57.3641 54.5210 O 0 0 0 0 0 0 0 0 0 15 17.8213 57.0223 53.5954 O 0 0 0 0 0 0 0 0 0 16 18.0366 56.3693 54.2540 H 0 0 0 0 0 0 0 0 0 17 1 2 1 0 0 0 1 7 1 0 0 0 1 15 1 0 0 0 2 3 1 0 0 0 2 9 1 0 0 0 3 4 1 0 0 0 3 11 1 0 0 0 4 5 1 0 0 0 4 13 1 0 0 0 5 6 1 0 0 0 5 15 1 0 0 0 6 16 1 0 0 0 7 8 1 0 0 0 9 10 1 0 0 0 11 12 1 0 0 0 13 14 1 0 0 0 16 17 1 0 0 0 M END > 0 > 12 > -1.19562 > 1.03036 > 0 > 1.06044 > rDock ($Id: //depot/dev/client3/rdock/2006.1/src/exe/rDock.cxx#4 $) > 0 > -2.78442 > -33.413 > -4.72594 > -0.78644 > /y/programs/rdock/2006.2_release_FC3/data/scripts/dock.prm > 0 > 0 > -0.393828 > 1 > -6.65391 > -3.12547 > 0.469784 > 0.633292 > /biol/people/mres/vnlr500/testinstallrdock/testing > Corina 3.00 0048 17.06.2003 > 42.56179721,173.53467733,65.02940950 > 0 > 1.50273e+008 > 170.65649703,-61.41931490,-62.47460828,-60.21989881,163.23938268,60.21730720 14.30258267,56.67973757,53.90944506,-2.93497736,-0.07170988,-1.55987048 > -1.18985 > -37.5057 > 0 > 0.0527743 > libRbt.so (2006.1, Build901 2006/09/27) > 1 > -17.1897 > 5abp.prm > 0.10307 > 0 > 0 > 0 $$$$