REMARK Name = BDB002653 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.201 0.546 -0.235 0.00 0.00 +0.233 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -2.520 1.205 0.130 0.00 0.00 +0.082 A ATOM 3 C LIG 1 -3.261 0.854 1.264 0.00 0.00 +0.064 A ATOM 4 CL LIG 1 -2.787 -0.394 2.355 0.00 0.00 -0.082 Cl ATOM 5 C LIG 1 -4.455 1.530 1.521 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -4.890 2.539 0.657 0.00 0.00 +0.074 A ATOM 7 C LIG 1 -4.107 2.813 -0.452 0.00 0.00 +0.123 A ATOM 8 N LIG 1 -2.948 2.174 -0.733 0.00 0.00 -0.257 NA BRANCH 6 9 ATOM 9 C LIG 1 -6.171 3.281 0.874 0.00 0.00 +0.419 C ATOM 10 F LIG 1 -6.548 3.325 2.182 0.00 0.00 -0.166 F ATOM 11 F LIG 1 -6.117 4.575 0.458 0.00 0.00 -0.166 F ATOM 12 F LIG 1 -7.212 2.715 0.204 0.00 0.00 -0.166 F ENDBRANCH 6 9 ENDBRANCH 1 2 BRANCH 1 13 ATOM 13 C LIG 1 -0.100 0.903 0.763 0.00 0.00 +0.233 C ATOM 14 N LIG 1 1.108 0.260 0.579 0.00 0.00 -0.310 N ATOM 15 H LIG 1 1.085 -0.647 0.117 0.00 0.00 +0.149 HD ATOM 16 O LIG 1 -0.235 1.766 1.631 0.00 0.00 -0.274 OA BRANCH 14 17 ATOM 17 C LIG 1 2.193 0.471 1.509 0.00 0.00 +0.139 C BRANCH 17 18 ATOM 18 C LIG 1 3.439 -0.227 1.039 0.00 0.00 -0.027 A ATOM 19 C LIG 1 4.311 0.407 0.141 0.00 0.00 +0.050 A ATOM 20 C LIG 1 5.460 -0.238 -0.328 0.00 0.00 +0.120 A ATOM 21 C LIG 1 5.737 -1.536 0.101 0.00 0.00 +0.045 A ATOM 22 C LIG 1 4.870 -2.182 0.987 0.00 0.00 +0.004 A ATOM 23 C LIG 1 3.725 -1.534 1.450 0.00 0.00 +0.005 A BRANCH 20 24 ATOM 24 O LIG 1 6.217 0.502 -1.194 0.00 0.00 -0.495 OA ATOM 25 C LIG 1 7.404 -0.104 -1.690 0.00 0.00 +0.277 C ENDBRANCH 20 24 ENDBRANCH 17 18 ENDBRANCH 14 17 ENDBRANCH 1 13 BRANCH 1 26 ATOM 26 C LIG 1 -1.344 -0.935 -0.513 0.00 0.00 +0.325 C ATOM 27 O LIG 1 -0.480 -1.772 -0.268 0.00 0.00 -0.250 OA BRANCH 26 28 ATOM 28 O LIG 1 -2.517 -1.226 -1.147 0.00 0.00 -0.464 OA BRANCH 28 30 ATOM 29 C LIG 1 -4.071 -2.768 -2.100 0.00 0.00 +0.048 C ATOM 30 C LIG 1 -2.705 -2.612 -1.460 0.00 0.00 +0.229 C ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 9