REMARK Name = BDB007253 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -7.128 0.494 2.114 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -6.746 0.554 0.768 0.00 0.00 +0.163 A ATOM 3 C LIG 1 -5.412 0.374 0.398 0.00 0.00 +0.055 A ATOM 4 C LIG 1 -4.441 0.056 1.360 0.00 0.00 -0.015 A ATOM 5 C LIG 1 -3.008 -0.220 0.945 0.00 0.00 +0.142 C ATOM 6 N LIG 1 -2.006 -0.041 2.023 0.00 0.00 -0.260 N ATOM 7 C LIG 1 -2.360 -0.132 3.373 0.00 0.00 +0.225 C ATOM 8 C LIG 1 -3.805 -0.426 3.725 0.00 0.00 +0.132 C ATOM 9 O LIG 1 -1.570 0.006 4.314 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -4.822 -0.041 2.697 0.00 0.00 -0.030 A ATOM 11 C LIG 1 -6.162 0.173 3.069 0.00 0.00 +0.053 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -2.870 -1.583 0.259 0.00 0.00 -0.022 A ATOM 13 C LIG 1 -2.562 -1.646 -1.113 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -2.426 -2.877 -1.760 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -2.598 -4.059 -1.044 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -2.429 -5.574 -1.840 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -2.907 -4.020 0.313 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -3.041 -2.789 0.962 0.00 0.00 +0.007 A ENDBRANCH 5 12 BRANCH 6 19 ATOM 19 C LIG 1 -0.616 0.066 1.628 0.00 0.00 +0.037 A ATOM 20 C LIG 1 -0.234 0.699 0.440 0.00 0.00 +0.025 A ATOM 21 C LIG 1 1.114 0.774 0.046 0.00 0.00 +0.025 A ATOM 22 C LIG 1 2.140 0.210 0.811 0.00 0.00 +0.036 A ATOM 23 C LIG 1 1.757 -0.415 2.005 0.00 0.00 +0.025 A ATOM 24 C LIG 1 0.410 -0.487 2.401 0.00 0.00 +0.025 A BRANCH 22 25 ATOM 25 N LIG 1 3.533 0.309 0.420 0.00 0.00 -0.274 N ATOM 26 C LIG 1 3.891 0.474 -0.925 0.00 0.00 +0.223 C ATOM 27 O LIG 1 3.091 0.329 -1.859 0.00 0.00 -0.275 OA ATOM 28 C LIG 1 4.511 0.086 1.482 0.00 0.00 +0.138 C BRANCH 26 29 ATOM 29 C LIG 1 5.335 0.822 -1.325 0.00 0.00 +0.076 C ATOM 30 C LIG 1 6.303 -0.360 -1.258 0.00 0.00 +0.014 C ATOM 31 C LIG 1 7.646 0.063 -1.850 0.00 0.00 +0.019 C ATOM 32 C LIG 1 8.304 1.217 -1.064 0.00 0.00 +0.056 C ATOM 33 C LIG 1 7.313 2.029 -0.198 0.00 0.00 +0.019 C ATOM 34 C LIG 1 5.880 2.128 -0.728 0.00 0.00 +0.014 C BRANCH 32 35 ATOM 35 N LIG 1 9.207 2.080 -1.853 0.00 0.00 -0.305 NA ATOM 36 C LIG 1 10.307 1.330 -2.460 0.00 0.00 +0.104 C ATOM 37 C LIG 1 8.546 2.914 -2.854 0.00 0.00 +0.104 C ENDBRANCH 32 35 ENDBRANCH 26 29 ENDBRANCH 22 25 ENDBRANCH 6 19 BRANCH 1 39 ATOM 38 C LIG 1 -8.826 0.866 3.746 0.00 0.00 +0.277 C ATOM 39 O LIG 1 -8.452 0.729 2.381 0.00 0.00 -0.491 OA ENDBRANCH 1 39 BRANCH 2 40 ATOM 40 O LIG 1 -7.673 0.873 -0.188 0.00 0.00 -0.486 OA BRANCH 40 41 ATOM 41 C LIG 1 -8.191 -0.227 -0.962 0.00 0.00 +0.167 C ATOM 42 C LIG 1 -7.408 -0.378 -2.264 0.00 0.00 +0.051 C ATOM 43 C LIG 1 -8.345 -1.566 -0.236 0.00 0.00 +0.051 C ENDBRANCH 40 41 ENDBRANCH 2 40 TORSDOF 8