REMARK Name = BDB063516 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.573 3.969 0.835 0.00 0.00 +0.012 C ATOM 2 C LIG 1 -2.167 2.793 0.318 0.00 0.00 -0.023 C ATOM 3 C LIG 1 -2.759 2.119 -0.913 0.00 0.00 +0.152 C ATOM 4 CL LIG 1 -4.451 2.630 -1.233 0.00 0.00 -0.113 Cl ATOM 5 C LIG 1 -2.582 0.569 -0.928 0.00 0.00 +0.234 C ATOM 6 C LIG 1 -2.170 -0.059 0.402 0.00 0.00 +0.158 C ATOM 7 C LIG 1 -1.327 -1.384 0.263 0.00 0.00 +0.219 C ATOM 8 C LIG 1 0.078 -1.522 -0.464 0.00 0.00 +0.080 C ATOM 9 C LIG 1 1.193 -0.390 -0.667 0.00 0.00 +0.054 C ATOM 10 C LIG 1 1.175 0.764 0.421 0.00 0.00 +0.230 C ATOM 11 C LIG 1 0.224 1.955 0.071 0.00 0.00 +0.250 C ATOM 12 C LIG 1 1.167 0.232 -2.099 0.00 0.00 +0.019 C ATOM 13 C LIG 1 2.595 -1.160 -0.582 0.00 0.00 +0.186 C ATOM 14 C LIG 1 2.740 -2.340 -1.572 0.00 0.00 +0.048 C ATOM 15 C LIG 1 1.531 -3.274 -1.615 0.00 0.00 +0.041 C ATOM 16 C LIG 1 0.235 -2.499 -1.645 0.00 0.00 +0.100 C ATOM 17 O LIG 1 -0.873 -3.311 -2.040 0.00 0.00 -0.368 OA ATOM 18 C LIG 1 -0.503 -2.288 -2.961 0.00 0.00 +0.196 C ATOM 19 C LIG 1 -3.559 -0.420 1.008 0.00 0.00 +0.134 C ATOM 20 C LIG 1 -4.394 -0.636 -0.224 0.00 0.00 +0.313 C ATOM 21 O LIG 1 -5.484 -1.185 -0.252 0.00 0.00 -0.250 OA ATOM 22 C LIG 1 -4.223 0.599 1.928 0.00 0.00 +0.022 C ATOM 23 O LIG 1 -1.494 0.756 1.349 0.00 0.00 -0.354 OA ATOM 24 O LIG 1 -3.763 -0.138 -1.326 0.00 0.00 -0.456 OA ATOM 25 C LIG 1 -1.026 2.030 0.961 0.00 0.00 +0.191 C ENDROOT BRANCH 11 26 ATOM 26 O LIG 1 0.913 3.231 0.162 0.00 0.00 -0.455 OA BRANCH 26 27 ATOM 27 C LIG 1 0.842 4.050 -0.921 0.00 0.00 +0.304 C ATOM 28 O LIG 1 0.256 3.792 -1.963 0.00 0.00 -0.251 OA ATOM 29 C LIG 1 1.589 5.320 -0.656 0.00 0.00 +0.136 C ENDBRANCH 26 27 ENDBRANCH 11 26 BRANCH 10 30 ATOM 30 O LIG 1 2.527 1.297 0.515 0.00 0.00 -0.457 OA BRANCH 30 31 ATOM 31 C LIG 1 2.894 1.787 1.733 0.00 0.00 +0.304 C ATOM 32 O LIG 1 2.178 1.820 2.723 0.00 0.00 -0.251 OA ATOM 33 C LIG 1 4.300 2.298 1.679 0.00 0.00 +0.136 C ENDBRANCH 30 31 ENDBRANCH 10 30 BRANCH 13 34 ATOM 34 O LIG 1 2.753 -1.669 0.763 0.00 0.00 -0.461 OA BRANCH 34 35 ATOM 35 C LIG 1 4.018 -1.719 1.262 0.00 0.00 +0.304 C ATOM 36 O LIG 1 5.027 -1.352 0.679 0.00 0.00 -0.251 OA ATOM 37 C LIG 1 3.995 -2.276 2.653 0.00 0.00 +0.136 C ENDBRANCH 34 35 ENDBRANCH 13 34 BRANCH 7 38 ATOM 38 O LIG 1 -2.218 -2.461 -0.118 0.00 0.00 -0.458 OA BRANCH 38 39 ATOM 39 C LIG 1 -2.081 -3.652 0.535 0.00 0.00 +0.304 C ATOM 40 O LIG 1 -1.256 -3.888 1.407 0.00 0.00 -0.251 OA ATOM 41 C LIG 1 -3.118 -4.622 0.059 0.00 0.00 +0.136 C ENDBRANCH 38 39 ENDBRANCH 7 38 TORSDOF 8