REMARK Name = BDB025865 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.465 -0.450 0.623 0.00 0.00 +0.015 A ATOM 2 C LIG 1 2.036 -1.778 0.754 0.00 0.00 +0.133 A ATOM 3 F LIG 1 2.928 -2.769 0.919 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.687 -2.128 0.691 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.287 -1.147 0.494 0.00 0.00 +0.054 A ATOM 6 C LIG 1 0.132 0.201 0.357 0.00 0.00 +0.056 A ATOM 7 C LIG 1 1.489 0.538 0.418 0.00 0.00 +0.036 A ENDROOT BRANCH 1 13 ATOM 8 C LIG 1 8.607 1.255 2.146 0.00 0.00 +0.109 C ATOM 9 C LIG 1 7.858 1.395 0.844 0.00 0.00 +0.213 C ATOM 10 N LIG 1 6.612 0.781 0.764 0.00 0.00 -0.298 N ATOM 11 C LIG 1 5.928 0.794 -0.527 0.00 0.00 +0.113 C ATOM 12 C LIG 1 4.411 0.894 -0.365 0.00 0.00 +0.054 C ATOM 13 C LIG 1 3.897 -0.080 0.665 0.00 0.00 -0.038 C ATOM 14 C LIG 1 4.731 -0.576 1.598 0.00 0.00 -0.004 C ATOM 15 C LIG 1 6.187 -0.238 1.720 0.00 0.00 +0.135 C ATOM 16 O LIG 1 8.349 2.042 -0.081 0.00 0.00 -0.276 OA ENDBRANCH 1 13 BRANCH 5 17 ATOM 17 N LIG 1 -1.664 -1.443 0.379 0.00 0.00 -0.325 N ATOM 18 C LIG 1 -2.083 -1.699 -1.028 0.00 0.00 +0.123 C ATOM 19 C LIG 1 -2.821 -3.058 -1.196 0.00 0.00 +0.071 C ATOM 20 C LIG 1 -3.144 -3.286 -2.678 0.00 0.00 +0.026 C ATOM 21 N LIG 1 -3.958 -3.253 -0.258 0.00 0.00 -0.297 NA ATOM 22 C LIG 1 -5.291 -3.039 -0.798 0.00 0.00 +0.105 C ATOM 23 C LIG 1 -3.724 -2.646 1.081 0.00 0.00 +0.071 C ATOM 24 C LIG 1 -4.507 -1.350 1.368 0.00 0.00 +0.026 C ATOM 25 C LIG 1 -2.211 -2.403 1.362 0.00 0.00 +0.123 C ENDBRANCH 5 17 BRANCH 6 26 ATOM 26 N LIG 1 -0.904 1.142 0.182 0.00 0.00 -0.280 N ATOM 27 H LIG 1 -1.822 0.705 0.211 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 -0.805 2.496 -0.002 0.00 0.00 +0.250 C ATOM 29 O LIG 1 0.204 3.184 -0.039 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 -2.141 3.131 -0.160 0.00 0.00 +0.065 A ATOM 31 C LIG 1 -2.847 3.187 -1.435 0.00 0.00 +0.073 A ATOM 32 C LIG 1 -4.059 3.773 -1.487 0.00 0.00 +0.083 A ATOM 33 C LIG 1 -4.672 4.355 -0.266 0.00 0.00 +0.249 A ATOM 34 O LIG 1 -5.779 4.874 -0.299 0.00 0.00 -0.268 OA ATOM 35 N LIG 1 -3.921 4.264 0.879 0.00 0.00 -0.328 N ATOM 36 H LIG 1 -4.332 4.678 1.709 0.00 0.00 +0.168 HD ATOM 37 C LIG 1 -2.684 3.672 0.941 0.00 0.00 +0.099 A BRANCH 31 38 ATOM 38 C LIG 1 -2.187 2.601 -2.644 0.00 0.00 +0.418 C ATOM 39 F LIG 1 -2.034 1.257 -2.526 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -0.964 3.129 -2.881 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -2.918 2.799 -3.773 0.00 0.00 -0.166 F ENDBRANCH 31 38 ENDBRANCH 28 30 ENDBRANCH 6 26 TORSDOF 5