REMARK Name = BDB020083 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.505 -0.107 -0.601 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -0.848 -1.464 -0.549 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -1.954 -1.895 0.200 0.00 0.00 +0.002 A ATOM 4 C LIG 1 -2.694 -0.936 0.914 0.00 0.00 +0.015 A ATOM 5 C LIG 1 -2.368 0.429 0.863 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.274 0.837 0.086 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.334 -3.313 0.251 0.00 0.00 +0.074 A ATOM 8 C LIG 1 -2.819 -4.028 -0.858 0.00 0.00 -0.022 A ATOM 9 C LIG 1 -3.007 -3.397 -2.207 0.00 0.00 +0.046 C ATOM 10 C LIG 1 -3.117 -5.387 -0.683 0.00 0.00 +0.045 A ATOM 11 C LIG 1 -2.952 -5.969 0.563 0.00 0.00 +0.142 A ATOM 12 F LIG 1 -3.238 -7.263 0.749 0.00 0.00 -0.204 F ATOM 13 C LIG 1 -2.492 -5.191 1.605 0.00 0.00 +0.149 A ATOM 14 N LIG 1 -2.181 -3.880 1.478 0.00 0.00 -0.252 NA ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 1.753 -0.477 -1.403 0.00 0.00 -0.307 N ATOM 16 H LIG 1 1.793 -1.215 -0.714 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 0.657 0.360 -1.401 0.00 0.00 +0.244 C ATOM 18 O LIG 1 0.613 1.433 -1.989 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 3.005 -0.073 -2.001 0.00 0.00 +0.140 C BRANCH 19 24 ATOM 20 C LIG 1 5.896 -0.247 0.480 0.00 0.00 +0.124 A ATOM 21 C LIG 1 5.814 1.018 1.073 0.00 0.00 +0.091 A ATOM 22 C LIG 1 4.835 1.929 0.676 0.00 0.00 +0.124 A ATOM 23 C LIG 1 3.934 1.566 -0.327 0.00 0.00 +0.051 A ATOM 24 C LIG 1 4.004 0.306 -0.939 0.00 0.00 -0.023 A ATOM 25 C LIG 1 4.990 -0.601 -0.521 0.00 0.00 +0.051 A BRANCH 20 27 ATOM 26 C LIG 1 7.052 -2.326 0.387 0.00 0.00 +0.277 C ATOM 27 O LIG 1 6.901 -1.038 0.969 0.00 0.00 -0.495 OA ENDBRANCH 20 27 BRANCH 22 28 ATOM 28 O LIG 1 4.652 3.187 1.181 0.00 0.00 -0.495 OA ATOM 29 C LIG 1 5.526 3.593 2.226 0.00 0.00 +0.277 C ENDBRANCH 22 28 ENDBRANCH 19 24 ENDBRANCH 15 19 ENDBRANCH 1 17 BRANCH 5 30 ATOM 30 C LIG 1 -3.193 1.450 1.618 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 N LIG 1 -4.037 2.209 0.721 0.00 0.00 -0.313 N ATOM 32 C LIG 1 -3.718 3.492 0.270 0.00 0.00 +0.204 A ATOM 33 N LIG 1 -2.707 4.200 0.625 0.00 0.00 -0.268 NA ATOM 34 H LIG 1 -2.729 5.089 0.125 0.00 0.00 +0.190 HD ATOM 35 N LIG 1 -4.736 3.800 -0.640 0.00 0.00 -0.320 N ATOM 36 C LIG 1 -4.760 4.971 -1.481 0.00 0.00 +0.152 C ATOM 37 C LIG 1 -5.601 2.718 -0.752 0.00 0.00 +0.106 A ATOM 38 C LIG 1 -5.181 1.755 0.079 0.00 0.00 +0.107 A ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 8