REMARK Name = BDB005970 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.356 -0.596 -0.190 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -4.515 -0.029 -1.157 0.00 0.00 +0.163 A ATOM 3 C LIG 1 -3.130 -0.172 -1.079 0.00 0.00 +0.055 A ATOM 4 C LIG 1 -2.554 -0.931 -0.052 0.00 0.00 -0.015 A ATOM 5 C LIG 1 -1.058 -1.185 -0.006 0.00 0.00 +0.137 C ATOM 6 N LIG 1 -0.559 -1.334 1.375 0.00 0.00 -0.287 N ATOM 7 C LIG 1 -1.361 -1.847 2.392 0.00 0.00 +0.221 C ATOM 8 C LIG 1 -2.761 -2.308 2.021 0.00 0.00 +0.131 C ATOM 9 O LIG 1 -0.967 -1.971 3.554 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -3.386 -1.499 0.920 0.00 0.00 -0.030 A ATOM 11 C LIG 1 -4.780 -1.341 0.843 0.00 0.00 +0.053 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -0.652 -2.343 -0.925 0.00 0.00 -0.023 A ATOM 13 C LIG 1 -0.429 -2.094 -2.292 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -0.082 -3.128 -3.166 0.00 0.00 +0.020 A ATOM 15 C LIG 1 0.047 -4.427 -2.687 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 0.469 -5.701 -3.764 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -0.167 -4.698 -1.340 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -0.515 -3.663 -0.466 0.00 0.00 +0.007 A ENDBRANCH 5 12 BRANCH 6 19 ATOM 19 C LIG 1 0.760 -0.778 1.737 0.00 0.00 +0.077 C ATOM 20 C LIG 1 1.865 -1.006 0.698 0.00 0.00 +0.023 C ATOM 21 C LIG 1 3.235 -0.564 1.220 0.00 0.00 +0.008 C ATOM 22 C LIG 1 3.181 0.677 2.143 0.00 0.00 +0.021 C ATOM 23 C LIG 1 1.921 1.518 1.879 0.00 0.00 +0.008 C ATOM 24 C LIG 1 0.635 0.715 2.105 0.00 0.00 +0.023 C BRANCH 22 25 ATOM 25 C LIG 1 4.516 1.507 2.215 0.00 0.00 +0.069 C ATOM 26 C LIG 1 4.574 2.188 3.602 0.00 0.00 +0.042 C BRANCH 25 27 ATOM 27 C LIG 1 4.706 2.572 1.077 0.00 0.00 +0.025 C ATOM 28 C LIG 1 4.697 1.978 -0.347 0.00 0.00 +0.034 C ATOM 29 C LIG 1 5.226 2.947 -1.410 0.00 0.00 +0.160 C ATOM 30 O LIG 1 5.169 4.292 -0.946 0.00 0.00 -0.380 OA ATOM 31 C LIG 1 6.062 4.512 0.144 0.00 0.00 +0.160 C ATOM 32 C LIG 1 6.001 3.403 1.201 0.00 0.00 +0.034 C ENDBRANCH 25 27 BRANCH 25 33 ATOM 33 O LIG 1 5.603 0.572 2.171 0.00 0.00 -0.388 OA ATOM 34 H LIG 1 6.414 1.025 2.459 0.00 0.00 +0.210 HD ENDBRANCH 25 33 ENDBRANCH 22 25 ENDBRANCH 6 19 BRANCH 1 36 ATOM 35 C LIG 1 -7.544 -0.747 0.731 0.00 0.00 +0.277 C ATOM 36 O LIG 1 -6.698 -0.382 -0.349 0.00 0.00 -0.491 OA ENDBRANCH 1 36 BRANCH 2 37 ATOM 37 O LIG 1 -5.007 0.740 -2.182 0.00 0.00 -0.486 OA BRANCH 37 38 ATOM 38 C LIG 1 -5.527 -0.069 -3.250 0.00 0.00 +0.167 C ATOM 39 C LIG 1 -4.535 -0.036 -4.413 0.00 0.00 +0.051 C ATOM 40 C LIG 1 -6.864 0.532 -3.679 0.00 0.00 +0.051 C ENDBRANCH 37 38 ENDBRANCH 2 37 TORSDOF 8