REMARK Name = BDB040599 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.383 1.327 -1.156 0.00 0.00 -0.028 A ATOM 2 C LIG 1 0.818 0.319 -2.017 0.00 0.00 +0.025 A ATOM 3 C LIG 1 2.132 -0.177 -1.955 0.00 0.00 +0.047 A ATOM 4 CL LIG 1 2.472 -1.456 -3.067 0.00 0.00 -0.083 Cl ATOM 5 C LIG 1 3.066 0.328 -1.026 0.00 0.00 +0.001 A ATOM 6 C LIG 1 2.592 1.327 -0.140 0.00 0.00 +0.047 A ATOM 7 CL LIG 1 3.581 2.004 1.115 0.00 0.00 -0.083 Cl ATOM 8 C LIG 1 1.280 1.815 -0.206 0.00 0.00 +0.025 A ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 4.517 -0.145 -0.906 0.00 0.00 +0.108 C ATOM 10 C LIG 1 5.229 -0.473 -2.211 0.00 0.00 +0.227 C ATOM 11 O LIG 1 5.367 0.352 -3.113 0.00 0.00 -0.275 OA ATOM 12 N LIG 1 5.710 -1.751 -2.356 0.00 0.00 -0.256 N ATOM 13 H LIG 1 6.169 -1.942 -3.237 0.00 0.00 +0.157 HD ATOM 14 C LIG 1 5.348 -2.863 -1.639 0.00 0.00 +0.219 C ATOM 15 O LIG 1 5.643 -3.990 -2.027 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 4.505 -2.631 -0.409 0.00 0.00 +0.097 C ATOM 17 C LIG 1 4.721 -1.238 0.151 0.00 0.00 +0.027 C ENDBRANCH 5 9 BRANCH 1 18 ATOM 18 C LIG 1 -1.033 1.835 -1.205 0.00 0.00 +0.139 C BRANCH 18 20 ATOM 19 C LIG 1 -2.130 1.519 0.988 0.00 0.00 +0.225 C ATOM 20 N LIG 1 -1.870 1.086 -0.296 0.00 0.00 -0.310 N ATOM 21 H LIG 1 -2.171 0.162 -0.582 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 -1.740 2.608 1.403 0.00 0.00 -0.275 OA BRANCH 19 24 ATOM 23 C LIG 1 -3.149 1.133 3.269 0.00 0.00 +0.027 C ATOM 24 C LIG 1 -2.958 0.547 1.854 0.00 0.00 +0.085 C ATOM 25 C LIG 1 -2.161 -0.767 2.008 0.00 0.00 +0.027 C BRANCH 24 26 ATOM 26 C LIG 1 -4.324 0.329 1.207 0.00 0.00 +0.074 A ATOM 27 N LIG 1 -4.681 -0.935 0.852 0.00 0.00 -0.254 NA ATOM 28 C LIG 1 -5.906 -1.073 0.282 0.00 0.00 +0.151 A ATOM 29 C LIG 1 -6.743 0.004 0.055 0.00 0.00 +0.147 A ATOM 30 CL LIG 1 -8.280 -0.181 -0.671 0.00 0.00 -0.060 Cl ATOM 31 N LIG 1 -6.404 1.266 0.383 0.00 0.00 -0.240 NA ATOM 32 C LIG 1 -5.186 1.403 0.962 0.00 0.00 +0.136 A ENDBRANCH 24 26 ENDBRANCH 19 24 ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 5