REMARK Name = BDB024131 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.093 0.008 1.590 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.236 -1.410 1.056 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.526 -1.649 -0.297 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.628 -2.953 -0.782 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.439 -4.034 0.077 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.151 -3.812 1.422 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.051 -2.508 1.911 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.210 0.736 1.121 0.00 0.00 +0.240 C ATOM 9 N LIG 1 1.281 -0.084 0.848 0.00 0.00 -0.269 N ATOM 10 H LIG 1 1.161 -1.089 0.875 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.244 1.970 1.084 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.569 0.268 0.450 0.00 0.00 +0.125 A ATOM 13 N LIG 1 3.370 -0.797 0.241 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 4.647 -0.556 -0.151 0.00 0.00 +0.121 A ATOM 15 C LIG 1 5.189 0.710 -0.347 0.00 0.00 +0.003 A ATOM 16 C LIG 1 4.335 1.790 -0.123 0.00 0.00 +0.013 A ATOM 17 C LIG 1 3.014 1.570 0.280 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 6.562 0.912 -0.771 0.00 0.00 +0.021 A ATOM 19 C LIG 1 7.595 0.015 -0.594 0.00 0.00 +0.122 A ATOM 20 N LIG 1 8.720 0.598 -1.123 0.00 0.00 -0.211 N ATOM 21 N LIG 1 8.481 1.829 -1.635 0.00 0.00 -0.174 NA ATOM 22 C LIG 1 7.176 2.012 -1.417 0.00 0.00 +0.143 A BRANCH 20 23 ATOM 23 C LIG 1 10.055 0.013 -1.159 0.00 0.00 +0.464 C ATOM 24 F LIG 1 10.504 -0.257 0.098 0.00 0.00 -0.183 F ATOM 25 F LIG 1 10.050 -1.173 -1.827 0.00 0.00 -0.183 F ENDBRANCH 20 23 ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.251 0.851 1.203 0.00 0.00 -0.301 NA ATOM 27 H LIG 1 -1.961 1.828 1.316 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.433 0.588 2.030 0.00 0.00 +0.089 C BRANCH 28 30 ATOM 29 C LIG 1 -4.525 2.844 1.448 0.00 0.00 +0.014 C ATOM 30 C LIG 1 -4.714 1.326 1.558 0.00 0.00 +0.030 C BRANCH 30 31 ATOM 31 C LIG 1 -5.300 0.721 0.288 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -4.685 0.888 -0.962 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -5.229 0.308 -2.111 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -6.399 -0.450 -2.026 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -7.021 -0.625 -0.788 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -6.474 -0.044 0.360 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -6.955 -1.050 -3.203 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -7.406 -1.538 -4.155 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10