REMARK Name = BDB025843 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.429 -1.110 0.098 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.875 0.163 -0.171 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.513 0.330 -0.240 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.391 -0.756 -0.057 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.814 -2.009 0.205 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.594 -3.087 0.379 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.566 -2.192 0.284 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -5.298 -1.901 3.037 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.819 -1.757 1.591 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.197 -2.981 0.831 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -6.504 -2.814 0.192 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.164 -3.350 -0.161 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.424 -2.165 -0.820 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.839 -1.233 0.177 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.291 -1.473 1.572 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.848 -0.576 -0.139 0.00 0.00 +0.021 A ATOM 17 C LIG 1 3.468 0.225 -1.078 0.00 0.00 +0.124 A ATOM 18 N LIG 1 4.804 0.411 -1.176 0.00 0.00 -0.222 NA ATOM 19 C LIG 1 5.593 -0.225 -0.295 0.00 0.00 +0.218 A ATOM 20 N LIG 1 5.092 -1.029 0.656 0.00 0.00 -0.222 NA ATOM 21 C LIG 1 3.749 -1.185 0.711 0.00 0.00 +0.124 A BRANCH 19 22 ATOM 22 N LIG 1 6.977 -0.072 -0.394 0.00 0.00 -0.295 N ATOM 23 C LIG 1 7.696 -0.349 0.859 0.00 0.00 +0.136 C ATOM 24 C LIG 1 9.211 -0.239 0.631 0.00 0.00 +0.179 C ATOM 25 O LIG 1 9.573 1.035 0.074 0.00 0.00 -0.377 OA ATOM 26 C LIG 1 8.920 1.215 -1.193 0.00 0.00 +0.179 C ATOM 27 C LIG 1 7.391 1.175 -1.054 0.00 0.00 +0.136 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 28 ATOM 28 N LIG 1 -1.808 1.204 -0.363 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.767 0.876 -0.259 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.572 2.523 -0.667 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -0.475 3.042 -0.846 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.781 3.368 -0.874 0.00 0.00 +0.055 A ATOM 33 C LIG 1 -3.935 3.321 -0.076 0.00 0.00 +0.056 A ATOM 34 CL LIG 1 -4.095 2.301 1.309 0.00 0.00 -0.083 Cl ATOM 35 C LIG 1 -5.019 4.157 -0.365 0.00 0.00 +0.059 A ATOM 36 C LIG 1 -4.946 5.040 -1.436 0.00 0.00 +0.125 A ATOM 37 F LIG 1 -5.988 5.836 -1.705 0.00 0.00 -0.205 F ATOM 38 C LIG 1 -3.807 5.113 -2.226 0.00 0.00 +0.039 A ATOM 39 C LIG 1 -2.724 4.282 -1.943 0.00 0.00 +0.017 A ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 5