REMARK Name = BDB040557 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.141 -1.738 -0.883 0.00 0.00 -0.028 A ATOM 2 C LIG 1 -1.408 -2.120 0.431 0.00 0.00 +0.025 A ATOM 3 C LIG 1 -1.944 -1.207 1.349 0.00 0.00 +0.047 A ATOM 4 CL LIG 1 -2.251 -1.834 2.937 0.00 0.00 -0.083 Cl ATOM 5 C LIG 1 -2.216 0.139 0.996 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -1.963 0.497 -0.344 0.00 0.00 +0.047 A ATOM 7 CL LIG 1 -2.274 2.067 -0.998 0.00 0.00 -0.083 Cl ATOM 8 C LIG 1 -1.432 -0.425 -1.261 0.00 0.00 +0.025 A ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 -2.760 1.092 2.061 0.00 0.00 +0.108 C ATOM 10 C LIG 1 -2.228 2.518 2.020 0.00 0.00 +0.227 C ATOM 11 O LIG 1 -1.029 2.776 2.110 0.00 0.00 -0.275 OA ATOM 12 N LIG 1 -3.150 3.524 1.864 0.00 0.00 -0.256 N ATOM 13 H LIG 1 -2.771 4.461 1.833 0.00 0.00 +0.157 HD ATOM 14 C LIG 1 -4.440 3.409 1.411 0.00 0.00 +0.219 C ATOM 15 O LIG 1 -5.083 4.401 1.078 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 -4.988 2.010 1.269 0.00 0.00 +0.097 C ATOM 17 C LIG 1 -4.287 1.046 2.207 0.00 0.00 +0.027 C ENDBRANCH 5 9 BRANCH 1 18 ATOM 18 C LIG 1 -0.456 -2.684 -1.838 0.00 0.00 +0.139 C BRANCH 18 20 ATOM 19 C LIG 1 1.820 -2.878 -0.935 0.00 0.00 +0.223 C ATOM 20 N LIG 1 0.955 -2.374 -1.893 0.00 0.00 -0.310 N ATOM 21 H LIG 1 1.195 -1.480 -2.302 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 1.518 -3.818 -0.205 0.00 0.00 -0.275 OA BRANCH 19 23 ATOM 23 C LIG 1 3.182 -2.136 -0.848 0.00 0.00 +0.068 C ATOM 24 C LIG 1 4.035 -2.745 0.284 0.00 0.00 +0.025 C ATOM 25 C LIG 1 3.927 -2.389 -2.175 0.00 0.00 +0.025 C BRANCH 23 30 ATOM 26 C LIG 1 1.997 3.460 0.143 0.00 0.00 +0.065 C ATOM 27 C LIG 1 2.331 2.014 -0.066 0.00 0.00 +0.038 A ATOM 28 N LIG 1 3.105 1.697 -1.129 0.00 0.00 -0.260 NA ATOM 29 C LIG 1 3.392 0.389 -1.331 0.00 0.00 +0.115 A ATOM 30 C LIG 1 2.927 -0.654 -0.537 0.00 0.00 -0.015 A ATOM 31 C LIG 1 2.142 -0.285 0.567 0.00 0.00 +0.008 A ATOM 32 C LIG 1 1.839 1.053 0.805 0.00 0.00 +0.023 A ENDBRANCH 23 30 ENDBRANCH 19 23 ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 5