REMARK Name = BDB007263 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.322 -2.627 0.210 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -3.792 -1.492 -0.470 0.00 0.00 +0.163 A ATOM 3 C LIG 1 -3.852 -0.243 0.153 0.00 0.00 +0.055 A ATOM 4 C LIG 1 -3.507 -0.120 1.498 0.00 0.00 -0.015 A ATOM 5 C LIG 1 -3.526 1.158 2.327 0.00 0.00 +0.143 C ATOM 6 N LIG 1 -2.197 1.291 2.922 0.00 0.00 -0.244 N ATOM 7 C LIG 1 -1.914 0.322 3.901 0.00 0.00 +0.226 C ATOM 8 C LIG 1 -2.519 -1.067 3.615 0.00 0.00 +0.132 C ATOM 9 O LIG 1 -1.275 0.522 4.932 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -3.001 -1.250 2.182 0.00 0.00 -0.030 A ATOM 11 C LIG 1 -2.932 -2.498 1.546 0.00 0.00 +0.053 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 -4.244 2.426 1.854 0.00 0.00 -0.022 A ATOM 13 C LIG 1 -3.782 3.712 2.204 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -4.473 4.866 1.818 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -5.665 4.756 1.111 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -6.519 6.172 0.636 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -6.181 3.500 0.807 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -5.486 2.348 1.193 0.00 0.00 +0.007 A ENDBRANCH 5 12 BRANCH 6 19 ATOM 19 C LIG 1 -1.067 1.787 2.192 0.00 0.00 +0.128 A ATOM 20 N LIG 1 0.130 1.763 2.805 0.00 0.00 -0.238 NA ATOM 21 C LIG 1 1.222 2.219 2.135 0.00 0.00 +0.136 A ATOM 22 C LIG 1 1.238 2.695 0.827 0.00 0.00 +0.048 A ATOM 23 C LIG 1 -0.015 2.711 0.218 0.00 0.00 +0.028 A ATOM 24 C LIG 1 -1.162 2.259 0.887 0.00 0.00 +0.046 A BRANCH 22 25 ATOM 25 N LIG 1 2.378 3.150 0.171 0.00 0.00 -0.332 N ATOM 26 C LIG 1 3.567 3.469 0.962 0.00 0.00 +0.129 C BRANCH 25 27 ATOM 27 C LIG 1 2.610 2.763 -1.233 0.00 0.00 +0.108 C BRANCH 27 28 ATOM 28 C LIG 1 3.404 1.445 -1.377 0.00 0.00 +0.006 C ATOM 29 C LIG 1 3.831 1.229 -2.835 0.00 0.00 +0.006 C ATOM 30 C LIG 1 4.693 -0.030 -3.036 0.00 0.00 +0.019 C ATOM 31 C LIG 1 4.540 -1.115 -1.931 0.00 0.00 +0.059 C ATOM 32 C LIG 1 3.051 -1.096 -1.526 0.00 0.00 +0.019 C ATOM 33 C LIG 1 2.623 0.220 -0.866 0.00 0.00 +0.006 C BRANCH 31 34 ATOM 34 N LIG 1 5.483 -0.869 -0.810 0.00 0.00 -0.275 NA ATOM 35 C LIG 1 6.876 -1.146 -1.201 0.00 0.00 +0.195 C ATOM 36 N LIG 1 7.110 -2.507 -0.832 0.00 0.00 -0.290 N ATOM 37 C LIG 1 8.376 -3.148 -1.087 0.00 0.00 +0.133 C ATOM 38 C LIG 1 6.279 -2.879 0.206 0.00 0.00 +0.230 C ATOM 39 O LIG 1 6.361 -3.883 0.893 0.00 0.00 -0.274 OA ATOM 40 C LIG 1 5.274 -1.760 0.362 0.00 0.00 +0.182 C ENDBRANCH 31 34 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 22 25 ENDBRANCH 6 19 BRANCH 1 42 ATOM 41 C LIG 1 -2.658 -4.916 0.106 0.00 0.00 +0.277 C ATOM 42 O LIG 1 -3.270 -3.791 -0.509 0.00 0.00 -0.491 OA ENDBRANCH 1 42 BRANCH 2 43 ATOM 43 O LIG 1 -4.133 -1.520 -1.801 0.00 0.00 -0.486 OA BRANCH 43 44 ATOM 44 C LIG 1 -5.366 -2.222 -2.036 0.00 0.00 +0.167 C ATOM 45 C LIG 1 -6.450 -1.190 -2.335 0.00 0.00 +0.051 C ATOM 46 C LIG 1 -5.157 -3.137 -3.236 0.00 0.00 +0.051 C ENDBRANCH 43 44 ENDBRANCH 2 43 TORSDOF 9