REMARK Name = BDB007007 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.348 -0.247 0.025 0.00 0.00 +0.234 C ATOM 2 N LIG 1 -1.170 -1.165 -0.625 0.00 0.00 -0.269 N ATOM 3 C LIG 1 -2.552 -1.327 -0.406 0.00 0.00 +0.043 A ATOM 4 C LIG 1 -3.065 -2.294 -1.261 0.00 0.00 -0.001 A ATOM 5 C LIG 1 -4.407 -2.596 -1.192 0.00 0.00 +0.117 A ATOM 6 N LIG 1 -5.243 -1.990 -0.324 0.00 0.00 -0.259 NA ATOM 7 C LIG 1 -4.721 -1.042 0.508 0.00 0.00 +0.047 A ATOM 8 C LIG 1 -2.015 -2.851 -2.181 0.00 0.00 +0.009 C ATOM 9 C LIG 1 -2.293 -2.454 -3.635 0.00 0.00 +0.017 C ATOM 10 C LIG 1 -1.891 -4.372 -2.055 0.00 0.00 +0.017 C ATOM 11 C LIG 1 -3.375 -0.678 0.494 0.00 0.00 +0.047 A ATOM 12 C LIG 1 -0.744 -2.140 -1.647 0.00 0.00 +0.124 C ATOM 13 O LIG 1 -0.767 0.577 0.840 0.00 0.00 -0.274 OA ENDROOT BRANCH 1 14 ATOM 14 C LIG 1 1.143 -0.307 -0.382 0.00 0.00 +0.181 C BRANCH 14 21 ATOM 15 C LIG 1 1.708 -2.861 1.996 0.00 0.00 +0.025 C ATOM 16 C LIG 1 2.718 -1.715 2.015 0.00 0.00 +0.065 C ATOM 17 N LIG 1 3.719 -1.956 0.956 0.00 0.00 -0.311 NA ATOM 18 H LIG 1 4.397 -2.642 1.285 0.00 0.00 +0.122 HD ATOM 19 C LIG 1 4.406 -0.689 0.653 0.00 0.00 +0.101 C ATOM 20 C LIG 1 3.446 0.377 0.048 0.00 0.00 +0.085 C ATOM 21 N LIG 1 2.051 0.341 0.593 0.00 0.00 -0.287 NA ATOM 22 C LIG 1 2.029 -0.319 1.917 0.00 0.00 +0.103 C BRANCH 20 23 ATOM 23 C LIG 1 4.001 1.825 0.196 0.00 0.00 +0.104 C BRANCH 23 24 ATOM 24 N LIG 1 5.273 2.037 -0.543 0.00 0.00 -0.298 NA ATOM 25 C LIG 1 6.442 2.011 0.368 0.00 0.00 +0.121 C ATOM 26 C LIG 1 6.671 3.439 0.860 0.00 0.00 +0.181 C ATOM 27 F LIG 1 6.335 3.543 2.171 0.00 0.00 -0.244 F ATOM 28 C LIG 1 5.742 4.306 0.034 0.00 0.00 +0.053 C ATOM 29 C LIG 1 5.332 3.399 -1.112 0.00 0.00 +0.087 C ENDBRANCH 23 24 ENDBRANCH 20 23 ENDBRANCH 14 21 ENDBRANCH 1 14 BRANCH 7 30 ATOM 30 C LIG 1 -5.682 -0.359 1.454 0.00 0.00 +0.093 C BRANCH 30 31 ATOM 31 C LIG 1 -6.117 1.007 0.982 0.00 0.00 -0.006 A ATOM 32 C LIG 1 -5.644 2.163 1.613 0.00 0.00 +0.130 A ATOM 33 F LIG 1 -4.809 2.059 2.657 0.00 0.00 -0.205 F ATOM 34 C LIG 1 -6.022 3.429 1.183 0.00 0.00 +0.077 A ATOM 35 C LIG 1 -6.886 3.541 0.104 0.00 0.00 +0.126 A ATOM 36 F LIG 1 -7.259 4.755 -0.320 0.00 0.00 -0.205 F ATOM 37 C LIG 1 -7.374 2.411 -0.547 0.00 0.00 +0.039 A ATOM 38 C LIG 1 -6.989 1.143 -0.110 0.00 0.00 +0.009 A ENDBRANCH 30 31 ENDBRANCH 7 30 TORSDOF 6