REMARK Name = BDB047926 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.550 1.012 0.341 0.00 0.00 +0.009 A ATOM 2 C LIG 1 -2.694 1.272 1.704 0.00 0.00 +0.128 A ATOM 3 F LIG 1 -3.902 1.542 2.215 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.597 1.268 2.559 0.00 0.00 +0.042 A ATOM 5 C LIG 1 -0.320 1.002 2.059 0.00 0.00 +0.048 A ATOM 6 C LIG 1 -0.147 0.742 0.700 0.00 0.00 +0.122 A ATOM 7 C LIG 1 -1.260 0.750 -0.150 0.00 0.00 +0.053 A ENDROOT BRANCH 1 8 ATOM 8 C LIG 1 -3.743 1.005 -0.579 0.00 0.00 +0.149 C BRANCH 8 10 ATOM 9 C LIG 1 -5.720 -0.342 0.174 0.00 0.00 +0.404 C ATOM 10 N LIG 1 -4.520 -0.238 -0.511 0.00 0.00 -0.252 N ATOM 11 O LIG 1 -6.361 -1.382 0.250 0.00 0.00 -0.226 OA BRANCH 9 12 ATOM 12 O LIG 1 -6.135 0.841 0.689 0.00 0.00 -0.451 OA BRANCH 12 14 ATOM 13 C LIG 1 -7.637 2.154 2.001 0.00 0.00 +0.048 C ATOM 14 C LIG 1 -7.356 0.775 1.436 0.00 0.00 +0.230 C ENDBRANCH 12 14 ENDBRANCH 9 12 BRANCH 10 15 ATOM 15 C LIG 1 -3.941 -1.455 -1.103 0.00 0.00 +0.231 C BRANCH 15 16 ATOM 16 C LIG 1 -4.203 -1.577 -2.601 0.00 0.00 +0.322 C ATOM 17 O LIG 1 -3.650 -2.397 -3.320 0.00 0.00 -0.249 OA BRANCH 16 18 ATOM 18 O LIG 1 -5.125 -0.708 -3.079 0.00 0.00 -0.480 OA ATOM 19 H LIG 1 -5.524 -0.193 -2.350 0.00 0.00 +0.295 HD ENDBRANCH 16 18 ENDBRANCH 15 16 ENDBRANCH 10 15 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 6 20 ATOM 20 O LIG 1 1.037 0.467 0.075 0.00 0.00 -0.486 OA BRANCH 20 21 ATOM 21 C LIG 1 2.218 0.451 0.885 0.00 0.00 +0.288 C BRANCH 21 22 ATOM 22 C LIG 1 3.434 0.141 0.081 0.00 0.00 +0.120 A ATOM 23 C LIG 1 3.706 0.397 -1.248 0.00 0.00 +0.129 A ATOM 24 C LIG 1 2.966 1.020 -2.358 0.00 0.00 +0.088 C ATOM 25 O LIG 1 4.962 -0.069 -1.518 0.00 0.00 -0.440 OA ATOM 26 C LIG 1 5.399 -0.586 -0.327 0.00 0.00 +0.228 A ATOM 27 N LIG 1 4.526 -0.477 0.658 0.00 0.00 -0.210 NA BRANCH 26 28 ATOM 28 C LIG 1 6.739 -1.168 -0.311 0.00 0.00 +0.037 A ATOM 29 C LIG 1 7.245 -1.711 0.881 0.00 0.00 +0.014 A ATOM 30 C LIG 1 8.524 -2.274 0.928 0.00 0.00 +0.021 A ATOM 31 C LIG 1 9.310 -2.299 -0.221 0.00 0.00 +0.041 A ATOM 32 CL LIG 1 10.884 -2.990 -0.167 0.00 0.00 -0.084 Cl ATOM 33 C LIG 1 8.828 -1.766 -1.414 0.00 0.00 +0.021 A ATOM 34 C LIG 1 7.548 -1.203 -1.458 0.00 0.00 +0.014 A ENDBRANCH 26 28 ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 6 20 TORSDOF 11