REMARK Name = BDB040611 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.552 1.068 -0.907 0.00 0.00 -0.026 A ATOM 2 C LIG 1 1.370 1.382 0.188 0.00 0.00 +0.025 A ATOM 3 C LIG 1 2.590 0.722 0.391 0.00 0.00 +0.048 A ATOM 4 CL LIG 1 3.528 1.213 1.758 0.00 0.00 -0.083 Cl ATOM 5 C LIG 1 3.022 -0.277 -0.493 0.00 0.00 +0.018 A ATOM 6 C LIG 1 2.192 -0.569 -1.586 0.00 0.00 +0.129 A ATOM 7 F LIG 1 2.573 -1.497 -2.478 0.00 0.00 -0.205 F ATOM 8 C LIG 1 0.977 0.079 -1.795 0.00 0.00 +0.044 A ENDROOT BRANCH 5 9 ATOM 9 C LIG 1 4.330 -1.032 -0.322 0.00 0.00 +0.110 C ATOM 10 C LIG 1 4.137 -2.549 -0.334 0.00 0.00 +0.227 C ATOM 11 O LIG 1 3.159 -3.111 0.156 0.00 0.00 -0.275 OA ATOM 12 N LIG 1 5.169 -3.293 -0.856 0.00 0.00 -0.256 N ATOM 13 H LIG 1 5.039 -4.296 -0.837 0.00 0.00 +0.157 HD ATOM 14 C LIG 1 6.409 -2.858 -1.247 0.00 0.00 +0.219 C ATOM 15 O LIG 1 7.293 -3.653 -1.554 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 6.647 -1.369 -1.195 0.00 0.00 +0.097 C ATOM 17 C LIG 1 5.348 -0.602 -1.385 0.00 0.00 +0.027 C ENDBRANCH 5 9 BRANCH 1 18 ATOM 18 C LIG 1 -0.775 1.757 -1.089 0.00 0.00 +0.139 C BRANCH 18 20 ATOM 19 C LIG 1 -2.134 1.687 0.977 0.00 0.00 +0.225 C ATOM 20 N LIG 1 -1.776 1.154 -0.244 0.00 0.00 -0.310 N ATOM 21 H LIG 1 -2.147 0.247 -0.509 0.00 0.00 +0.149 HD ATOM 22 O LIG 1 -1.682 2.757 1.381 0.00 0.00 -0.275 OA BRANCH 19 24 ATOM 23 C LIG 1 -3.464 1.546 3.123 0.00 0.00 +0.027 C ATOM 24 C LIG 1 -3.128 0.835 1.794 0.00 0.00 +0.083 C ATOM 25 C LIG 1 -2.431 -0.495 2.163 0.00 0.00 +0.027 C BRANCH 24 26 ATOM 26 C LIG 1 -4.399 0.611 0.969 0.00 0.00 +0.058 A ATOM 27 N LIG 1 -4.613 -0.634 0.466 0.00 0.00 -0.259 NA ATOM 28 C LIG 1 -5.722 -0.850 -0.278 0.00 0.00 +0.114 A ATOM 29 C LIG 1 -6.642 0.130 -0.578 0.00 0.00 +0.058 A ATOM 30 C LIG 1 -6.396 1.396 -0.081 0.00 0.00 +0.127 A ATOM 31 F LIG 1 -7.252 2.388 -0.354 0.00 0.00 -0.205 F ATOM 32 C LIG 1 -5.275 1.658 0.694 0.00 0.00 +0.062 A ENDBRANCH 24 26 ENDBRANCH 19 24 ENDBRANCH 18 20 ENDBRANCH 1 18 TORSDOF 5