REMARK Name = BDB010237 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.607 -1.218 0.057 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.242 -1.060 -0.159 0.00 0.00 +0.130 A ATOM 3 C LIG 1 0.499 -2.087 -0.715 0.00 0.00 +0.185 A ATOM 4 N LIG 1 1.802 -1.735 -0.881 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 1.908 -0.516 -0.407 0.00 0.00 +0.199 A ATOM 6 N LIG 1 -0.004 -3.284 -1.060 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 -1.318 -3.370 -0.776 0.00 0.00 +0.242 A ATOM 8 N LIG 1 0.691 -0.076 0.081 0.00 0.00 -0.303 N ATOM 9 N LIG 1 -2.122 -2.424 -0.249 0.00 0.00 -0.205 NA ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 -2.413 -0.203 0.556 0.00 0.00 -0.324 N ATOM 11 H LIG 1 -2.159 0.704 0.178 0.00 0.00 +0.148 HD BRANCH 10 13 ATOM 12 C LIG 1 -4.446 -0.172 -0.822 0.00 0.00 +0.028 C ATOM 13 C LIG 1 -3.865 -0.419 0.574 0.00 0.00 +0.072 C BRANCH 13 14 ATOM 14 C LIG 1 -4.488 0.585 1.563 0.00 0.00 +0.009 C ATOM 15 C LIG 1 -4.115 0.394 3.061 0.00 0.00 +0.005 C ATOM 16 C LIG 1 -5.418 -0.406 3.232 0.00 0.00 +0.001 C ATOM 17 C LIG 1 -5.961 0.328 1.992 0.00 0.00 +0.005 C ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 1 10 BRANCH 5 18 ATOM 18 N LIG 1 3.015 0.263 -0.359 0.00 0.00 -0.306 N ATOM 19 H LIG 1 2.916 1.272 -0.362 0.00 0.00 +0.150 HD BRANCH 18 20 ATOM 20 C LIG 1 4.314 -0.198 -0.895 0.00 0.00 +0.054 C ATOM 21 C LIG 1 4.193 -0.396 -2.422 0.00 0.00 +0.036 C ATOM 22 C LIG 1 5.325 0.959 -0.681 0.00 0.00 +0.036 C BRANCH 20 23 ATOM 23 C LIG 1 4.833 -1.411 -0.106 0.00 0.00 -0.025 A ATOM 24 C LIG 1 5.320 -2.569 -0.735 0.00 0.00 +0.006 A ATOM 25 C LIG 1 5.804 -3.649 0.011 0.00 0.00 +0.000 A ATOM 26 C LIG 1 5.811 -3.594 1.402 0.00 0.00 +0.000 A ATOM 27 C LIG 1 5.332 -2.460 2.050 0.00 0.00 +0.000 A ATOM 28 C LIG 1 4.848 -1.382 1.304 0.00 0.00 +0.006 A ENDBRANCH 20 23 ENDBRANCH 18 20 ENDBRANCH 5 18 BRANCH 7 29 ATOM 29 C LIG 1 -1.938 -4.698 -1.121 0.00 0.00 +0.375 C ATOM 30 O LIG 1 -3.110 -5.003 -0.978 0.00 0.00 -0.242 OA BRANCH 29 31 ATOM 31 O LIG 1 -1.006 -5.551 -1.636 0.00 0.00 -0.475 OA ATOM 32 H LIG 1 -0.124 -5.108 -1.662 0.00 0.00 +0.296 HD ENDBRANCH 29 31 ENDBRANCH 7 29 BRANCH 8 33 ATOM 33 C LIG 1 0.479 1.131 0.868 0.00 0.00 +0.160 C BRANCH 33 34 ATOM 34 C LIG 1 -0.169 2.257 0.092 0.00 0.00 -0.028 A ATOM 35 C LIG 1 -1.026 3.137 0.774 0.00 0.00 +0.006 A ATOM 36 C LIG 1 -1.643 4.197 0.107 0.00 0.00 +0.013 A ATOM 37 C LIG 1 -1.402 4.417 -1.256 0.00 0.00 +0.055 A ATOM 38 C LIG 1 -0.538 3.549 -1.937 0.00 0.00 +0.013 A ATOM 39 C LIG 1 0.080 2.488 -1.268 0.00 0.00 +0.006 A BRANCH 37 40 ATOM 40 C LIG 1 -2.086 5.557 -1.973 0.00 0.00 +0.417 C ATOM 41 F LIG 1 -2.054 6.718 -1.262 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -3.402 5.300 -2.212 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -1.533 5.846 -3.183 0.00 0.00 -0.166 F ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 11