REMARK Name = BDB006138 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.406 0.303 -0.311 0.00 0.00 +0.146 C ATOM 2 N LIG 1 -1.576 1.526 0.526 0.00 0.00 -0.252 N ATOM 3 C LIG 1 -0.464 1.797 1.359 0.00 0.00 +0.272 C ATOM 4 O LIG 1 -0.261 2.751 2.092 0.00 0.00 -0.268 OA ATOM 5 C LIG 1 0.457 0.718 1.072 0.00 0.00 +0.153 A ATOM 6 N LIG 1 1.669 0.388 1.497 0.00 0.00 -0.166 NA ATOM 7 N LIG 1 1.962 -0.710 0.759 0.00 0.00 -0.267 N ATOM 8 C LIG 1 0.954 -1.070 -0.136 0.00 0.00 +0.048 A ATOM 9 C LIG 1 -0.048 -0.151 0.104 0.00 0.00 +0.031 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -3.204 -1.031 -2.377 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -3.236 -1.404 -0.919 0.00 0.00 -0.044 A ATOM 12 C LIG 1 -2.399 -0.797 0.051 0.00 0.00 -0.019 A ATOM 13 C LIG 1 -2.541 -1.207 1.399 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -3.462 -2.186 1.776 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -4.272 -2.770 0.815 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -5.413 -3.974 1.269 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -4.167 -2.383 -0.519 0.00 0.00 +0.023 A ENDBRANCH 1 12 BRANCH 2 18 ATOM 18 C LIG 1 -2.761 2.309 0.502 0.00 0.00 +0.074 A ATOM 19 C LIG 1 -3.260 2.934 1.658 0.00 0.00 +0.163 A ATOM 20 F LIG 1 -2.686 2.706 2.850 0.00 0.00 -0.202 F ATOM 21 C LIG 1 -4.423 3.705 1.612 0.00 0.00 +0.078 A ATOM 22 CL LIG 1 -5.044 4.448 3.037 0.00 0.00 -0.081 Cl ATOM 23 C LIG 1 -5.114 3.862 0.412 0.00 0.00 +0.023 A ATOM 24 C LIG 1 -4.645 3.235 -0.739 0.00 0.00 +0.003 A ATOM 25 C LIG 1 -3.481 2.461 -0.692 0.00 0.00 +0.026 A ENDBRANCH 2 18 BRANCH 8 26 ATOM 26 C LIG 1 1.087 -2.211 -1.108 0.00 0.00 +0.032 C ATOM 27 C LIG 1 0.070 -3.316 -0.841 0.00 0.00 +0.014 C ATOM 28 C LIG 1 1.005 -1.714 -2.551 0.00 0.00 +0.014 C ENDBRANCH 8 26 BRANCH 7 29 ATOM 29 C LIG 1 3.233 -1.379 0.998 0.00 0.00 +0.148 C BRANCH 29 30 ATOM 30 C LIG 1 4.299 -1.070 -0.056 0.00 0.00 +0.058 C BRANCH 30 31 ATOM 31 C LIG 1 5.064 0.205 0.203 0.00 0.00 -0.046 A ATOM 32 C LIG 1 4.519 1.449 -0.138 0.00 0.00 +0.004 A ATOM 33 C LIG 1 5.225 2.626 0.114 0.00 0.00 +0.000 A ATOM 34 C LIG 1 6.486 2.572 0.704 0.00 0.00 +0.000 A ATOM 35 C LIG 1 7.039 1.341 1.048 0.00 0.00 +0.000 A ATOM 36 C LIG 1 6.332 0.163 0.802 0.00 0.00 +0.004 A ENDBRANCH 30 31 ENDBRANCH 29 30 ENDBRANCH 7 29 TORSDOF 6