REMARK Name = BDB024394 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.135 -0.150 0.144 0.00 0.00 +0.174 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.036 -1.602 0.487 0.00 0.00 +0.016 A ATOM 3 C LIG 1 -1.030 -2.704 -0.350 0.00 0.00 +0.113 A ATOM 4 N LIG 1 -0.912 -3.799 0.452 0.00 0.00 -0.274 N ATOM 5 C LIG 1 -0.872 -5.181 0.038 0.00 0.00 +0.172 C ATOM 6 N LIG 1 -0.815 -3.494 1.758 0.00 0.00 -0.180 NA ATOM 7 C LIG 1 -0.914 -2.164 1.780 0.00 0.00 +0.140 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.129 0.412 -0.584 0.00 0.00 +0.240 C ATOM 9 N LIG 1 1.318 -0.211 -0.281 0.00 0.00 -0.269 N ATOM 10 H LIG 1 1.317 -1.036 0.307 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.022 1.401 -1.316 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.599 0.086 -0.742 0.00 0.00 +0.125 A ATOM 13 N LIG 1 3.540 -0.756 -0.267 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 4.824 -0.547 -0.657 0.00 0.00 +0.121 A ATOM 15 C LIG 1 5.236 0.474 -1.507 0.00 0.00 +0.003 A ATOM 16 C LIG 1 4.238 1.325 -1.981 0.00 0.00 +0.013 A ATOM 17 C LIG 1 2.907 1.133 -1.596 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 6.623 0.651 -1.897 0.00 0.00 +0.021 A ATOM 19 C LIG 1 7.717 0.205 -1.185 0.00 0.00 +0.122 A ATOM 20 N LIG 1 8.831 0.589 -1.890 0.00 0.00 -0.211 N ATOM 21 N LIG 1 8.526 1.263 -3.025 0.00 0.00 -0.174 NA ATOM 22 C LIG 1 7.191 1.298 -3.020 0.00 0.00 +0.143 A BRANCH 20 23 ATOM 23 C LIG 1 10.217 0.334 -1.513 0.00 0.00 +0.464 C ATOM 24 F LIG 1 10.502 0.883 -0.301 0.00 0.00 -0.183 F ATOM 25 F LIG 1 10.451 -1.002 -1.395 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 -2.303 0.052 -0.740 0.00 0.00 -0.301 NA ATOM 27 H LIG 1 -2.146 0.914 -1.269 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -3.588 0.109 -0.037 0.00 0.00 +0.089 C BRANCH 28 30 ATOM 29 C LIG 1 -3.819 2.667 -0.077 0.00 0.00 +0.014 C ATOM 30 C LIG 1 -3.865 1.397 0.782 0.00 0.00 +0.030 C BRANCH 30 31 ATOM 31 C LIG 1 -5.196 1.280 1.518 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -6.419 1.265 0.829 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -7.627 1.149 1.523 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -7.630 1.044 2.916 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -6.418 1.054 3.611 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -5.210 1.170 2.917 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -8.868 0.926 3.628 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -9.871 0.831 4.204 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10