REMARK Name = BDB026303 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.828 1.253 -0.102 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.183 -0.005 -0.122 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.211 -0.087 -0.188 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.005 1.075 -0.227 0.00 0.00 +0.019 A ATOM 5 C LIG 1 0.344 2.312 -0.205 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.047 3.455 -0.232 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.046 2.409 -0.145 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -6.047 0.554 -0.956 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.368 1.915 -1.206 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.709 2.989 -0.232 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -7.061 2.919 0.298 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.622 3.262 0.742 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.048 4.012 2.012 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.791 2.007 1.133 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.245 1.284 -0.046 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.832 1.709 -1.343 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.477 0.979 -0.291 0.00 0.00 -0.012 A ATOM 18 C LIG 1 3.184 0.140 0.589 0.00 0.00 +0.047 A ATOM 19 C LIG 1 4.574 0.043 0.523 0.00 0.00 +0.136 A ATOM 20 F LIG 1 5.203 -0.758 1.395 0.00 0.00 -0.205 F ATOM 21 C LIG 1 5.287 0.763 -0.429 0.00 0.00 +0.072 A ATOM 22 C LIG 1 4.612 1.623 -1.297 0.00 0.00 +0.016 A ATOM 23 C LIG 1 3.217 1.721 -1.231 0.00 0.00 +0.009 A BRANCH 21 24 ATOM 24 C LIG 1 6.756 0.695 -0.492 0.00 0.00 +0.249 C ATOM 25 N LIG 1 7.375 -0.518 -0.795 0.00 0.00 -0.300 N ATOM 26 C LIG 1 6.664 -1.748 -1.119 0.00 0.00 +0.132 C ATOM 27 O LIG 1 7.366 1.745 -0.296 0.00 0.00 -0.270 OA BRANCH 25 28 ATOM 28 C LIG 1 8.820 -0.613 -0.621 0.00 0.00 +0.111 C BRANCH 28 29 ATOM 29 C LIG 1 9.150 -1.260 0.693 0.00 0.00 +0.006 C ATOM 30 C LIG 1 9.053 -0.479 1.979 0.00 0.00 +0.005 C ATOM 31 C LIG 1 10.401 -0.874 1.442 0.00 0.00 +0.005 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 21 24 ENDBRANCH 4 17 BRANCH 2 32 ATOM 32 N LIG 1 -2.040 -1.124 -0.070 0.00 0.00 -0.280 N ATOM 33 H LIG 1 -3.020 -0.845 -0.037 0.00 0.00 +0.155 HD ATOM 34 C LIG 1 -1.704 -2.452 -0.017 0.00 0.00 +0.250 C ATOM 35 O LIG 1 -0.585 -2.943 0.022 0.00 0.00 -0.270 OA BRANCH 34 36 ATOM 36 C LIG 1 -2.904 -3.333 0.045 0.00 0.00 +0.065 A ATOM 37 C LIG 1 -3.785 -3.579 -1.090 0.00 0.00 +0.073 A ATOM 38 C LIG 1 -4.848 -4.393 -0.931 0.00 0.00 +0.083 A ATOM 39 C LIG 1 -5.123 -5.033 0.379 0.00 0.00 +0.249 A ATOM 40 O LIG 1 -6.095 -5.759 0.537 0.00 0.00 -0.268 OA ATOM 41 N LIG 1 -4.225 -4.754 1.379 0.00 0.00 -0.328 N ATOM 42 H LIG 1 -4.402 -5.205 2.270 0.00 0.00 +0.168 HD ATOM 43 C LIG 1 -3.137 -3.930 1.224 0.00 0.00 +0.099 A BRANCH 37 44 ATOM 44 C LIG 1 -3.460 -2.944 -2.406 0.00 0.00 +0.418 C ATOM 45 F LIG 1 -3.628 -1.598 -2.362 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -4.265 -3.392 -3.406 0.00 0.00 -0.166 F ATOM 47 F LIG 1 -2.187 -3.181 -2.801 0.00 0.00 -0.166 F ENDBRANCH 37 44 ENDBRANCH 34 36 ENDBRANCH 2 32 TORSDOF 8