REMARK Name = BDB010660 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.161 -1.097 0.072 0.00 0.00 +0.201 A ATOM 2 N LIG 1 0.098 -0.769 -0.398 0.00 0.00 -0.308 N ATOM 3 C LIG 1 1.005 -1.598 0.228 0.00 0.00 +0.115 A ATOM 4 C LIG 1 0.225 -2.345 1.099 0.00 0.00 +0.184 A ATOM 5 N LIG 1 0.709 -3.269 1.943 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 2.034 -3.397 1.869 0.00 0.00 +0.202 A ATOM 7 N LIG 1 2.887 -2.730 1.054 0.00 0.00 -0.222 NA ATOM 8 C LIG 1 2.377 -1.815 0.199 0.00 0.00 +0.102 A ATOM 9 N LIG 1 -1.094 -2.034 0.986 0.00 0.00 -0.194 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -3.586 -0.159 -2.491 0.00 0.00 +0.030 C ATOM 11 C LIG 1 -2.897 -1.182 -1.583 0.00 0.00 +0.099 C ATOM 12 N LIG 1 -2.277 -0.476 -0.401 0.00 0.00 -0.290 N ATOM 13 C LIG 1 -3.338 -0.144 0.585 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.184 -1.363 0.961 0.00 0.00 +0.139 C ATOM 15 C LIG 1 -5.093 -0.776 2.027 0.00 0.00 +0.033 C ATOM 16 C LIG 1 -4.166 0.150 2.829 0.00 0.00 +0.004 C ATOM 17 O LIG 1 -4.873 -1.850 -0.190 0.00 0.00 -0.373 OA ATOM 18 C LIG 1 -2.946 0.440 1.934 0.00 0.00 +0.025 C ATOM 19 C LIG 1 -3.889 -2.301 -1.145 0.00 0.00 +0.182 C ENDBRANCH 1 12 BRANCH 6 20 ATOM 20 C LIG 1 2.670 -4.386 2.769 0.00 0.00 +0.220 A ATOM 21 N LIG 1 4.002 -4.556 2.718 0.00 0.00 -0.269 N ATOM 22 H LIG 1 4.656 -4.081 2.119 0.00 0.00 +0.174 HD ATOM 23 C LIG 1 4.310 -5.495 3.622 0.00 0.00 +0.440 A ATOM 24 O LIG 1 5.430 -5.916 3.861 0.00 0.00 -0.221 OA ATOM 25 O LIG 1 3.152 -5.904 4.235 0.00 0.00 -0.295 OA ATOM 26 N LIG 1 2.091 -5.145 3.641 0.00 0.00 -0.051 NA ENDBRANCH 6 20 BRANCH 8 27 ATOM 27 C LIG 1 3.326 -1.148 -0.672 0.00 0.00 +0.022 A ATOM 28 C LIG 1 4.181 -0.147 -0.194 0.00 0.00 +0.033 A ATOM 29 C LIG 1 5.071 0.477 -1.062 0.00 0.00 +0.060 A ATOM 30 CL LIG 1 6.105 1.725 -0.501 0.00 0.00 -0.082 Cl ATOM 31 C LIG 1 5.093 0.076 -2.388 0.00 0.00 +0.130 A ATOM 32 N LIG 1 4.297 -0.899 -2.889 0.00 0.00 -0.261 NA ATOM 33 C LIG 1 3.449 -1.496 -2.017 0.00 0.00 +0.120 A ENDBRANCH 8 27 BRANCH 2 34 ATOM 34 C LIG 1 0.386 0.287 -1.354 0.00 0.00 +0.128 C BRANCH 34 35 ATOM 35 C LIG 1 0.913 1.585 -0.710 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -0.189 2.301 0.097 0.00 0.00 +0.005 C ATOM 37 C LIG 1 0.101 3.790 0.238 0.00 0.00 +0.003 C ATOM 38 C LIG 1 0.089 4.492 -1.131 0.00 0.00 -0.014 C ATOM 39 C LIG 1 0.909 5.782 -1.068 0.00 0.00 +0.007 C ATOM 40 C LIG 1 0.572 3.573 -2.268 0.00 0.00 +0.003 C ATOM 41 C LIG 1 1.546 2.509 -1.772 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 5