REMARK Name = BDB025955 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.890 -0.948 0.350 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.178 0.270 0.229 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.188 0.269 -0.058 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.875 -0.941 -0.234 0.00 0.00 +0.015 A ATOM 5 C LIG 1 1.157 -2.140 -0.113 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.772 -3.322 -0.279 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.207 -2.151 0.173 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.530 -1.843 -1.061 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.611 -0.970 -0.195 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.985 -0.875 1.235 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.406 -0.868 1.530 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.156 -1.674 2.152 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.439 -3.183 2.089 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.624 -1.392 1.985 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.272 -0.881 0.638 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.130 -1.402 -0.439 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.317 -0.935 -0.548 0.00 0.00 -0.038 C ATOM 18 C LIG 1 3.790 -0.155 -1.747 0.00 0.00 +0.054 C ATOM 19 C LIG 1 5.295 0.146 -1.694 0.00 0.00 +0.113 C ATOM 20 N LIG 1 6.038 -1.051 -1.300 0.00 0.00 -0.296 N ATOM 21 C LIG 1 5.683 -1.651 -0.017 0.00 0.00 +0.135 C ATOM 22 C LIG 1 4.198 -1.593 0.228 0.00 0.00 -0.004 C BRANCH 20 23 ATOM 23 C LIG 1 7.415 -0.988 -1.515 0.00 0.00 +0.218 A ATOM 24 N LIG 1 7.903 -0.088 -2.393 0.00 0.00 -0.220 NA ATOM 25 C LIG 1 9.237 -0.068 -2.606 0.00 0.00 +0.154 A ATOM 26 C LIG 1 10.109 -0.912 -1.976 0.00 0.00 +0.160 A ATOM 27 F LIG 1 11.426 -0.875 -2.202 0.00 0.00 -0.202 F ATOM 28 C LIG 1 9.544 -1.797 -1.101 0.00 0.00 +0.154 A ATOM 29 N LIG 1 8.216 -1.851 -0.855 0.00 0.00 -0.220 NA ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -0.955 1.433 0.408 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -1.932 1.202 0.594 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -0.556 2.742 0.358 0.00 0.00 +0.250 C ATOM 33 O LIG 1 0.576 3.176 0.189 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -1.685 3.685 0.596 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -2.786 3.887 -0.341 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -3.762 4.763 -0.026 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -3.723 5.516 1.252 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -4.608 6.307 1.549 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -2.638 5.269 2.055 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -2.601 5.794 2.922 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -1.638 4.381 1.742 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -2.775 3.150 -1.644 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -2.998 1.823 -1.473 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.744 3.589 -2.491 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -1.601 3.281 -2.307 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6