REMARK Name = BDB007256 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.599 -0.204 2.039 0.00 0.00 +0.162 A ATOM 2 C LIG 1 -3.498 -0.063 0.644 0.00 0.00 +0.163 A ATOM 3 C LIG 1 -2.342 -0.449 -0.038 0.00 0.00 +0.055 A ATOM 4 C LIG 1 -1.245 -0.935 0.676 0.00 0.00 -0.015 A ATOM 5 C LIG 1 0.033 -1.407 0.000 0.00 0.00 +0.142 C ATOM 6 N LIG 1 1.186 -0.866 0.764 0.00 0.00 -0.260 N ATOM 7 C LIG 1 1.208 -1.059 2.161 0.00 0.00 +0.225 C ATOM 8 C LIG 1 -0.097 -1.552 2.789 0.00 0.00 +0.132 C ATOM 9 O LIG 1 2.168 -0.842 2.902 0.00 0.00 -0.275 OA ATOM 10 C LIG 1 -1.315 -1.030 2.073 0.00 0.00 -0.030 A ATOM 11 C LIG 1 -2.493 -0.683 2.749 0.00 0.00 +0.053 A ENDROOT BRANCH 5 12 ATOM 12 C LIG 1 0.124 -2.940 -0.181 0.00 0.00 -0.022 A ATOM 13 C LIG 1 -1.023 -3.757 -0.212 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -0.925 -5.138 -0.410 0.00 0.00 +0.020 A ATOM 15 C LIG 1 0.321 -5.726 -0.598 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 0.441 -7.424 -0.842 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 1.469 -4.942 -0.598 0.00 0.00 +0.020 A ATOM 18 C LIG 1 1.370 -3.561 -0.400 0.00 0.00 +0.007 A ENDBRANCH 5 12 BRANCH 6 19 ATOM 19 C LIG 1 2.269 -0.228 0.058 0.00 0.00 +0.037 A ATOM 20 C LIG 1 2.048 0.470 -1.140 0.00 0.00 +0.024 A ATOM 21 C LIG 1 3.098 1.086 -1.836 0.00 0.00 +0.007 A ATOM 22 C LIG 1 4.407 1.030 -1.351 0.00 0.00 -0.028 A ATOM 23 C LIG 1 4.641 0.343 -0.158 0.00 0.00 +0.007 A ATOM 24 C LIG 1 3.587 -0.271 0.533 0.00 0.00 +0.024 A BRANCH 22 25 ATOM 25 C LIG 1 5.541 1.697 -2.088 0.00 0.00 +0.157 C BRANCH 25 26 ATOM 26 N LIG 1 5.426 3.145 -2.065 0.00 0.00 -0.332 N ATOM 27 C LIG 1 5.153 3.941 -3.141 0.00 0.00 +0.199 A ATOM 28 N LIG 1 5.148 5.212 -2.809 0.00 0.00 -0.244 NA ATOM 29 C LIG 1 5.438 5.237 -1.469 0.00 0.00 +0.130 A ATOM 30 C LIG 1 5.626 3.962 -0.986 0.00 0.00 +0.107 A ENDBRANCH 25 26 ENDBRANCH 22 25 ENDBRANCH 6 19 BRANCH 1 32 ATOM 31 C LIG 1 -4.943 -0.037 4.005 0.00 0.00 +0.277 C ATOM 32 O LIG 1 -4.801 0.136 2.601 0.00 0.00 -0.491 OA ENDBRANCH 1 32 BRANCH 2 33 ATOM 33 O LIG 1 -4.542 0.369 -0.136 0.00 0.00 -0.486 OA BRANCH 33 34 ATOM 34 C LIG 1 -4.847 1.759 0.065 0.00 0.00 +0.167 C ATOM 35 C LIG 1 -6.365 1.896 0.106 0.00 0.00 +0.051 C ATOM 36 C LIG 1 -4.271 2.552 -1.105 0.00 0.00 +0.051 C ENDBRANCH 33 34 ENDBRANCH 2 33 TORSDOF 7