REMARK Name = BDB026227 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.305 -0.904 0.051 0.00 0.00 +0.054 A ATOM 2 C LIG 1 0.544 0.172 -0.311 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.930 0.076 -0.138 0.00 0.00 +0.036 A ATOM 4 C LIG 1 2.520 -1.088 0.385 0.00 0.00 +0.019 A ATOM 5 C LIG 1 1.664 -2.142 0.732 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.168 -3.282 1.232 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.281 -2.059 0.573 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.630 -2.726 -1.552 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.939 -1.626 -0.739 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.496 -1.598 0.641 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.748 -0.838 0.688 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.531 -1.081 1.647 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -3.008 -2.267 2.468 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -2.374 -0.204 1.095 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -1.700 -0.756 -0.104 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -2.405 -1.865 -0.774 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 3.982 -1.185 0.556 0.00 0.00 -0.010 A ATOM 18 C LIG 1 4.550 -1.635 1.756 0.00 0.00 +0.048 A ATOM 19 C LIG 1 5.937 -1.724 1.909 0.00 0.00 +0.139 A ATOM 20 F LIG 1 6.399 -2.165 3.091 0.00 0.00 -0.205 F ATOM 21 C LIG 1 6.809 -1.370 0.880 0.00 0.00 +0.107 A ATOM 22 C LIG 1 6.247 -0.919 -0.315 0.00 0.00 +0.139 A ATOM 23 F LIG 1 7.010 -0.559 -1.357 0.00 0.00 -0.205 F ATOM 24 C LIG 1 4.861 -0.825 -0.477 0.00 0.00 +0.048 A BRANCH 21 25 ATOM 25 C LIG 1 8.285 -1.461 1.017 0.00 0.00 +0.247 C ATOM 26 O LIG 1 9.052 -1.181 0.105 0.00 0.00 -0.270 OA ATOM 27 N LIG 1 8.797 -1.876 2.216 0.00 0.00 -0.325 N ATOM 28 H LIG 1 9.803 -1.941 2.298 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 8.226 -2.136 3.010 0.00 0.00 +0.145 HD ENDBRANCH 21 25 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -0.096 1.304 -0.859 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -1.105 1.180 -0.922 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 0.484 2.436 -1.376 0.00 0.00 +0.249 C ATOM 33 O LIG 1 1.671 2.698 -1.492 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -0.491 3.424 -1.881 0.00 0.00 +0.049 A ATOM 35 C LIG 1 -1.265 4.207 -1.008 0.00 0.00 +0.070 A ATOM 36 C LIG 1 -2.180 5.117 -1.566 0.00 0.00 +0.051 A ATOM 37 C LIG 1 -2.290 5.243 -2.949 0.00 0.00 +0.124 A ATOM 38 F LIG 1 -3.166 6.117 -3.459 0.00 0.00 -0.205 F ATOM 39 C LIG 1 -1.504 4.482 -3.806 0.00 0.00 +0.039 A ATOM 40 C LIG 1 -0.596 3.570 -3.272 0.00 0.00 +0.016 A BRANCH 35 41 ATOM 41 C LIG 1 -1.133 4.083 0.486 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -1.692 2.933 0.954 0.00 0.00 -0.166 F ATOM 43 F LIG 1 0.150 4.095 0.929 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -1.763 5.088 1.159 0.00 0.00 -0.166 F ENDBRANCH 35 41 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 6