REMARK Name = BDB026272 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.649 -1.310 -0.111 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.007 -0.066 0.102 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.381 0.041 -0.102 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.163 -1.056 -0.504 0.00 0.00 +0.015 A ATOM 5 C LIG 1 0.506 -2.269 -0.723 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.186 -3.359 -1.110 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.867 -2.396 -0.531 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.402 -2.012 3.008 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.914 -2.173 1.559 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.894 -1.636 0.558 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -7.183 -2.333 0.657 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.315 -1.771 -0.820 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -6.228 -1.178 -1.905 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.926 -1.076 -0.948 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.009 -1.576 0.084 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.524 -1.475 1.455 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.620 -0.902 -0.725 0.00 0.00 -0.038 C ATOM 18 C LIG 1 3.247 -1.607 -1.903 0.00 0.00 +0.054 C ATOM 19 C LIG 1 4.570 -0.957 -2.309 0.00 0.00 +0.116 C ATOM 20 N LIG 1 5.428 -0.723 -1.155 0.00 0.00 -0.263 N ATOM 21 C LIG 1 6.798 -0.841 -1.314 0.00 0.00 +0.403 C ATOM 22 O LIG 1 7.344 -1.289 -2.315 0.00 0.00 -0.226 OA ATOM 23 C LIG 1 4.869 0.036 -0.046 0.00 0.00 +0.138 C ATOM 24 C LIG 1 3.389 -0.163 0.099 0.00 0.00 -0.004 C BRANCH 21 25 ATOM 25 O LIG 1 7.491 -0.392 -0.228 0.00 0.00 -0.447 OA BRANCH 25 26 ATOM 26 C LIG 1 8.925 -0.504 -0.333 0.00 0.00 +0.189 C ATOM 27 C LIG 1 9.712 0.112 0.844 0.00 0.00 +0.120 C ATOM 28 C LIG 1 10.754 0.593 -0.185 0.00 0.00 +0.256 C ATOM 29 F LIG 1 11.273 1.821 0.037 0.00 0.00 -0.205 F ATOM 30 F LIG 1 11.799 -0.244 -0.380 0.00 0.00 -0.205 F ATOM 31 C LIG 1 9.640 0.516 -1.246 0.00 0.00 +0.120 C ENDBRANCH 25 26 ENDBRANCH 21 25 ENDBRANCH 4 17 BRANCH 2 32 ATOM 32 N LIG 1 -1.788 1.048 0.486 0.00 0.00 -0.280 N ATOM 33 H LIG 1 -2.785 0.889 0.461 0.00 0.00 +0.155 HD ATOM 34 C LIG 1 -1.352 2.280 0.921 0.00 0.00 +0.250 C ATOM 35 O LIG 1 -0.201 2.639 1.130 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 -2.482 3.198 1.250 0.00 0.00 +0.062 A ATOM 37 C LIG 1 -3.372 3.792 0.258 0.00 0.00 +0.036 A ATOM 38 C LIG 1 -4.359 4.613 0.669 0.00 0.00 +0.080 A ATOM 39 C LIG 1 -4.544 4.915 2.112 0.00 0.00 +0.249 A ATOM 40 O LIG 1 -5.445 5.650 2.492 0.00 0.00 -0.268 OA ATOM 41 N LIG 1 -3.646 4.323 2.964 0.00 0.00 -0.328 N ATOM 42 H LIG 1 -3.758 4.543 3.948 0.00 0.00 +0.168 HD ATOM 43 C LIG 1 -2.634 3.491 2.552 0.00 0.00 +0.099 A BRANCH 37 44 ATOM 44 C LIG 1 -3.147 3.507 -1.195 0.00 0.00 +0.372 C ATOM 45 F LIG 1 -3.478 2.221 -1.484 0.00 0.00 -0.204 F ATOM 46 F LIG 1 -1.845 3.662 -1.544 0.00 0.00 -0.204 F ENDBRANCH 37 44 ENDBRANCH 34 36 ENDBRANCH 2 32 TORSDOF 7