REMARK Name = BDB019765 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.323 2.089 -0.127 0.00 0.00 -0.015 A ATOM 2 C LIG 1 0.078 2.030 -0.138 0.00 0.00 +0.021 A ATOM 3 C LIG 1 0.743 0.887 -0.596 0.00 0.00 +0.038 A ATOM 4 C LIG 1 0.006 -0.203 -1.073 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -1.398 -0.170 -1.066 0.00 0.00 -0.029 A ATOM 6 C LIG 1 -2.049 0.977 -0.587 0.00 0.00 +0.013 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -1.655 4.545 -1.809 0.00 0.00 +0.066 C ATOM 8 C LIG 1 -2.189 4.446 -0.407 0.00 0.00 +0.049 A ATOM 9 C LIG 1 -2.020 3.283 0.365 0.00 0.00 +0.003 A ATOM 10 C LIG 1 -2.558 3.288 1.660 0.00 0.00 +0.014 A ATOM 11 C LIG 1 -3.223 4.413 2.137 0.00 0.00 +0.060 A ATOM 12 C LIG 1 -3.335 5.506 1.301 0.00 0.00 +0.213 A ATOM 13 F LIG 1 -3.976 6.593 1.752 0.00 0.00 -0.184 F ATOM 14 N LIG 1 -2.839 5.550 0.049 0.00 0.00 -0.224 NA ENDBRANCH 1 9 BRANCH 3 15 ATOM 15 C LIG 1 2.230 0.880 -0.581 0.00 0.00 +0.244 C ATOM 16 N LIG 1 2.832 -0.348 -0.405 0.00 0.00 -0.307 N ATOM 17 H LIG 1 2.267 -1.128 -0.098 0.00 0.00 +0.149 HD ATOM 18 O LIG 1 2.848 1.933 -0.689 0.00 0.00 -0.270 OA BRANCH 16 19 ATOM 19 C LIG 1 4.262 -0.465 -0.236 0.00 0.00 +0.140 C BRANCH 19 20 ATOM 20 C LIG 1 4.631 -0.483 1.226 0.00 0.00 -0.029 A ATOM 21 C LIG 1 4.780 -1.697 1.913 0.00 0.00 +0.026 A ATOM 22 C LIG 1 5.097 -1.710 3.277 0.00 0.00 +0.060 A ATOM 23 CL LIG 1 5.266 -3.248 4.045 0.00 0.00 -0.082 Cl ATOM 24 C LIG 1 5.261 -0.504 3.967 0.00 0.00 +0.059 A ATOM 25 CL LIG 1 5.650 -0.444 5.649 0.00 0.00 -0.082 Cl ATOM 26 C LIG 1 5.105 0.708 3.291 0.00 0.00 +0.022 A ATOM 27 C LIG 1 4.788 0.718 1.930 0.00 0.00 +0.007 A ENDBRANCH 19 20 ENDBRANCH 16 19 ENDBRANCH 3 15 BRANCH 5 28 ATOM 28 C LIG 1 -2.191 -1.349 -1.583 0.00 0.00 +0.139 C BRANCH 28 29 ATOM 29 N LIG 1 -1.863 -2.529 -0.807 0.00 0.00 -0.313 N ATOM 30 H LIG 1 -1.897 -2.348 0.193 0.00 0.00 +0.149 HD BRANCH 29 31 ATOM 31 C LIG 1 -2.438 -3.724 -1.053 0.00 0.00 +0.176 C ATOM 32 N LIG 1 -2.599 -4.102 -2.346 0.00 0.00 -0.316 N ATOM 33 H LIG 1 -1.807 -3.878 -2.934 0.00 0.00 +0.149 HD ATOM 34 C LIG 1 -2.965 -5.505 -2.330 0.00 0.00 +0.127 C ATOM 35 C LIG 1 -3.385 -5.697 -0.869 0.00 0.00 +0.163 C ATOM 36 N LIG 1 -2.817 -4.543 -0.117 0.00 0.00 -0.255 NA ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 5 28 TORSDOF 7