REMARK Name = BDB019986 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.526 -1.405 1.854 0.00 0.00 +0.038 A ATOM 2 C LIG 1 0.234 -2.282 0.803 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -1.074 -2.407 0.316 0.00 0.00 -0.017 A ATOM 4 C LIG 1 -2.085 -1.634 0.911 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -1.813 -0.756 1.974 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.496 -0.651 2.444 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -1.383 -3.304 -0.810 0.00 0.00 -0.015 A ATOM 8 C LIG 1 -1.306 -4.714 -0.706 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -0.902 -5.400 0.573 0.00 0.00 +0.044 C ATOM 10 C LIG 1 -1.592 -5.505 -1.832 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -1.971 -4.913 -3.030 0.00 0.00 +0.124 A ATOM 12 F LIG 1 -2.246 -5.684 -4.090 0.00 0.00 -0.205 F ATOM 13 C LIG 1 -2.070 -3.535 -3.144 0.00 0.00 +0.039 A ATOM 14 C LIG 1 -1.776 -2.736 -2.039 0.00 0.00 +0.011 A ENDBRANCH 3 7 BRANCH 1 17 ATOM 15 N LIG 1 2.338 -0.084 2.790 0.00 0.00 -0.307 N ATOM 16 H LIG 1 1.766 0.721 2.579 0.00 0.00 +0.149 HD ATOM 17 C LIG 1 1.933 -1.318 2.329 0.00 0.00 +0.244 C ATOM 18 O LIG 1 2.661 -2.301 2.269 0.00 0.00 -0.270 OA BRANCH 15 19 ATOM 19 C LIG 1 3.724 0.177 3.112 0.00 0.00 +0.140 C BRANCH 19 24 ATOM 20 C LIG 1 5.483 0.928 -0.186 0.00 0.00 +0.124 A ATOM 21 C LIG 1 5.591 2.321 -0.133 0.00 0.00 +0.091 A ATOM 22 C LIG 1 5.099 3.021 0.972 0.00 0.00 +0.124 A ATOM 23 C LIG 1 4.502 2.322 2.025 0.00 0.00 +0.051 A ATOM 24 C LIG 1 4.394 0.927 1.992 0.00 0.00 -0.023 A ATOM 25 C LIG 1 4.883 0.241 0.873 0.00 0.00 +0.051 A BRANCH 20 27 ATOM 26 C LIG 1 6.545 0.761 -2.311 0.00 0.00 +0.277 C ATOM 27 O LIG 1 5.916 0.126 -1.207 0.00 0.00 -0.495 OA ENDBRANCH 20 27 BRANCH 22 28 ATOM 28 O LIG 1 5.133 4.379 1.145 0.00 0.00 -0.495 OA ATOM 29 C LIG 1 5.761 5.146 0.125 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 -2.924 0.068 2.593 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 N LIG 1 -3.428 1.056 1.661 0.00 0.00 -0.313 N ATOM 32 C LIG 1 -4.548 0.897 0.833 0.00 0.00 +0.204 A ATOM 33 N LIG 1 -5.420 -0.046 0.801 0.00 0.00 -0.268 NA ATOM 34 H LIG 1 -5.215 -0.739 1.518 0.00 0.00 +0.190 HD ATOM 35 N LIG 1 -4.523 2.021 0.003 0.00 0.00 -0.317 N ATOM 36 C LIG 1 -3.418 2.804 0.298 0.00 0.00 +0.106 A ATOM 37 C LIG 1 -2.754 2.222 1.305 0.00 0.00 +0.107 A BRANCH 35 38 ATOM 38 C LIG 1 -5.433 2.214 -1.107 0.00 0.00 +0.128 C BRANCH 38 39 ATOM 39 C LIG 1 -4.926 1.496 -2.326 0.00 0.00 +0.009 C ATOM 40 C LIG 1 -5.327 1.953 -3.707 0.00 0.00 +0.005 C ATOM 41 C LIG 1 -3.908 2.131 -3.241 0.00 0.00 +0.005 C ENDBRANCH 38 39 ENDBRANCH 35 38 ENDBRANCH 30 31 ENDBRANCH 5 30 TORSDOF 10