REMARK Name = BDB025908 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.893 -0.072 0.665 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.121 1.013 0.188 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.275 0.926 0.143 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.950 -0.231 0.579 0.00 0.00 +0.022 A ATOM 5 C LIG 1 1.161 -1.292 1.051 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.742 -2.419 1.492 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.231 -1.224 1.095 0.00 0.00 +0.064 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 3.417 -0.316 0.537 0.00 0.00 +0.021 A ATOM 9 C LIG 1 4.254 0.728 0.878 0.00 0.00 +0.124 A ATOM 10 N LIG 1 5.606 0.678 0.848 0.00 0.00 -0.222 NA ATOM 11 C LIG 1 6.184 -0.469 0.456 0.00 0.00 +0.218 A ATOM 12 N LIG 1 5.461 -1.543 0.100 0.00 0.00 -0.222 NA ATOM 13 C LIG 1 4.113 -1.444 0.150 0.00 0.00 +0.124 A BRANCH 11 14 ATOM 14 N LIG 1 7.576 -0.535 0.383 0.00 0.00 -0.295 N ATOM 15 C LIG 1 8.111 -1.902 0.478 0.00 0.00 +0.136 C ATOM 16 C LIG 1 9.637 -1.883 0.302 0.00 0.00 +0.179 C ATOM 17 O LIG 1 10.268 -0.991 1.235 0.00 0.00 -0.377 OA ATOM 18 C LIG 1 9.783 0.346 1.034 0.00 0.00 +0.179 C ATOM 19 C LIG 1 8.264 0.436 1.246 0.00 0.00 +0.136 C ENDBRANCH 11 14 ENDBRANCH 4 8 BRANCH 1 22 ATOM 20 C LIG 1 -4.314 -1.198 0.236 0.00 0.00 +0.075 C ATOM 21 C LIG 1 -2.945 -0.789 -0.369 0.00 0.00 +0.124 C ATOM 22 N LIG 1 -2.304 0.056 0.671 0.00 0.00 -0.327 N ATOM 23 C LIG 1 -2.953 -0.240 1.964 0.00 0.00 +0.107 C ATOM 24 C LIG 1 -3.901 -1.406 1.698 0.00 0.00 +0.039 C BRANCH 20 25 ATOM 25 N LIG 1 -4.956 -2.383 -0.379 0.00 0.00 -0.301 NA ATOM 26 C LIG 1 -5.155 -2.175 -1.820 0.00 0.00 +0.105 C BRANCH 25 27 ATOM 27 C LIG 1 -6.236 -2.709 0.283 0.00 0.00 +0.084 C BRANCH 27 29 ATOM 28 C LIG 1 -5.943 -5.237 0.072 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -6.865 -4.045 -0.142 0.00 0.00 +0.012 C ENDBRANCH 27 29 ENDBRANCH 25 27 ENDBRANCH 20 25 ENDBRANCH 1 22 BRANCH 2 30 ATOM 30 N LIG 1 -0.855 2.148 -0.216 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -1.859 2.001 -0.119 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -0.375 3.366 -0.625 0.00 0.00 +0.250 C ATOM 33 O LIG 1 0.793 3.721 -0.704 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -1.465 4.334 -0.935 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -2.351 4.221 -2.089 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -3.297 5.161 -2.286 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -3.443 6.298 -1.343 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -4.312 7.145 -1.503 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -2.551 6.325 -0.301 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -2.636 7.113 0.333 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -1.579 5.377 -0.098 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -2.159 3.081 -3.040 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -0.876 2.952 -3.453 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.526 1.902 -2.475 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -2.916 3.213 -4.161 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 9