REMARK Name = BDB014253 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.570 -0.252 0.155 0.00 0.00 +0.086 A ATOM 2 C LIG 1 -2.210 -0.028 0.389 0.00 0.00 +0.079 A ATOM 3 C LIG 1 -1.700 1.264 0.438 0.00 0.00 +0.090 A ATOM 4 C LIG 1 -0.310 1.171 0.684 0.00 0.00 +0.054 A ATOM 5 C LIG 1 0.017 -0.172 0.774 0.00 0.00 +0.052 A ATOM 6 N LIG 1 -2.463 2.370 0.271 0.00 0.00 -0.253 NA ATOM 7 C LIG 1 -3.772 2.133 0.046 0.00 0.00 +0.112 A ATOM 8 N LIG 1 -1.154 -0.878 0.606 0.00 0.00 -0.354 N ATOM 9 H LIG 1 -1.224 -1.890 0.625 0.00 0.00 +0.166 HD ATOM 10 C LIG 1 -4.364 0.882 -0.021 0.00 0.00 +0.037 A ENDROOT BRANCH 1 12 ATOM 11 O LIG 1 -5.364 -1.815 -0.112 0.00 0.00 -0.245 OA ATOM 12 C LIG 1 -4.185 -1.589 0.089 0.00 0.00 +0.339 C BRANCH 12 13 ATOM 13 O LIG 1 -3.304 -2.590 0.276 0.00 0.00 -0.477 OA ATOM 14 H LIG 1 -3.859 -3.397 0.202 0.00 0.00 +0.295 HD ENDBRANCH 12 13 ENDBRANCH 1 12 BRANCH 5 15 ATOM 15 C LIG 1 1.319 -0.863 1.031 0.00 0.00 +0.192 C BRANCH 15 16 ATOM 16 C LIG 1 2.504 -0.237 0.318 0.00 0.00 +0.005 A ATOM 17 C LIG 1 2.686 -0.253 -1.076 0.00 0.00 +0.047 A ATOM 18 CL LIG 1 1.581 -1.054 -2.139 0.00 0.00 -0.083 Cl ATOM 19 C LIG 1 3.793 0.372 -1.662 0.00 0.00 +0.020 A ATOM 20 C LIG 1 4.734 1.025 -0.870 0.00 0.00 +0.001 A ATOM 21 C LIG 1 4.572 1.055 0.511 0.00 0.00 +0.000 A ATOM 22 C LIG 1 3.469 0.433 1.099 0.00 0.00 +0.008 A ENDBRANCH 15 16 BRANCH 15 23 ATOM 23 O LIG 1 1.141 -2.236 0.685 0.00 0.00 -0.381 OA ATOM 24 H LIG 1 1.417 -2.331 -0.243 0.00 0.00 +0.211 HD ENDBRANCH 15 23 ENDBRANCH 5 15 TORSDOF 5