REMARK Name = BDB007980 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.129 -0.819 0.847 0.00 0.00 +0.180 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 3.107 -0.553 1.227 0.00 0.00 +0.063 C ATOM 3 C LIG 1 2.449 -1.932 1.249 0.00 0.00 +0.027 C ATOM 4 C LIG 1 1.028 -1.892 0.675 0.00 0.00 +0.085 C ATOM 5 N LIG 1 0.337 -0.606 0.876 0.00 0.00 -0.294 NA ATOM 6 C LIG 1 0.776 0.039 2.119 0.00 0.00 +0.085 C ATOM 7 C LIG 1 2.239 0.475 1.977 0.00 0.00 +0.027 C BRANCH 2 9 ATOM 8 O LIG 1 4.674 -0.648 3.057 0.00 0.00 -0.292 OA ATOM 9 C LIG 1 4.501 -0.649 1.839 0.00 0.00 +0.166 C BRANCH 9 10 ATOM 10 C LIG 1 5.695 -0.772 0.948 0.00 0.00 +0.018 A ATOM 11 C LIG 1 6.957 -0.494 1.492 0.00 0.00 +0.015 A ATOM 12 C LIG 1 8.115 -0.594 0.712 0.00 0.00 +0.046 A ATOM 13 C LIG 1 8.027 -0.980 -0.625 0.00 0.00 +0.130 A ATOM 14 C LIG 1 6.769 -1.266 -1.166 0.00 0.00 +0.046 A ATOM 15 C LIG 1 5.609 -1.167 -0.389 0.00 0.00 +0.015 A BRANCH 13 16 ATOM 16 O LIG 1 9.063 -1.121 -1.502 0.00 0.00 -0.406 OA BRANCH 16 17 ATOM 17 C LIG 1 10.371 -0.845 -1.030 0.00 0.00 +0.575 C ATOM 18 F LIG 1 10.710 -1.675 -0.021 0.00 0.00 -0.133 F ATOM 19 F LIG 1 10.480 0.436 -0.619 0.00 0.00 -0.133 F ATOM 20 F LIG 1 11.245 -1.037 -2.043 0.00 0.00 -0.133 F ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 9 10 ENDBRANCH 2 9 ENDBRANCH 1 5 BRANCH 1 21 ATOM 21 C LIG 1 -1.904 0.505 0.829 0.00 0.00 +0.230 C ATOM 22 N LIG 1 -1.964 1.235 -0.353 0.00 0.00 -0.288 N ATOM 23 O LIG 1 -2.461 0.907 1.858 0.00 0.00 -0.274 OA BRANCH 22 24 ATOM 24 C LIG 1 -1.282 0.876 -1.609 0.00 0.00 +0.180 C BRANCH 24 25 ATOM 25 C LIG 1 -2.143 0.198 -2.674 0.00 0.00 +0.358 C ATOM 26 F LIG 1 -3.117 1.037 -3.104 0.00 0.00 -0.208 F ATOM 27 F LIG 1 -2.731 -0.920 -2.188 0.00 0.00 -0.208 F ENDBRANCH 24 25 ENDBRANCH 22 24 BRANCH 22 28 ATOM 28 C LIG 1 -2.866 2.383 -0.365 0.00 0.00 +0.182 C BRANCH 28 29 ATOM 29 C LIG 1 -4.351 2.009 -0.426 0.00 0.00 +0.127 A ATOM 30 N LIG 1 -5.218 3.047 -0.196 0.00 0.00 -0.309 N ATOM 31 H LIG 1 -4.885 3.963 0.064 0.00 0.00 +0.170 HD ATOM 32 C LIG 1 -6.571 2.881 -0.188 0.00 0.00 +0.257 A ATOM 33 O LIG 1 -7.340 3.796 0.084 0.00 0.00 -0.267 OA ATOM 34 C LIG 1 -7.038 1.527 -0.521 0.00 0.00 +0.064 A ATOM 35 C LIG 1 -8.508 1.276 -0.584 0.00 0.00 +0.202 C ATOM 36 O LIG 1 -8.818 0.013 -1.196 0.00 0.00 -0.375 OA ATOM 37 C LIG 1 -8.002 -1.042 -0.680 0.00 0.00 +0.166 C ATOM 38 C LIG 1 -6.542 -0.817 -1.071 0.00 0.00 +0.084 C ATOM 39 C LIG 1 -6.107 0.589 -0.751 0.00 0.00 +0.056 A ATOM 40 N LIG 1 -4.753 0.808 -0.700 0.00 0.00 -0.237 NA ENDBRANCH 28 29 ENDBRANCH 22 28 ENDBRANCH 1 21 TORSDOF 10