REMARK Name = BDB025868 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.125 -1.052 -0.070 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.578 0.237 -0.296 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -0.200 0.460 -0.185 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.674 -0.587 0.143 0.00 0.00 +0.015 A ATOM 5 C LIG 1 0.119 -1.855 0.364 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.901 -2.890 0.712 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.252 -2.090 0.259 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.234 -2.127 3.185 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.526 -2.382 1.850 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.239 -3.373 0.993 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.614 -2.982 0.679 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.406 -3.608 -0.220 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.010 -4.647 -1.174 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -4.028 -2.320 -1.006 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.523 -1.214 -0.160 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -4.224 -1.036 1.135 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.127 -0.329 0.273 0.00 0.00 -0.038 C ATOM 18 C LIG 1 2.567 0.928 0.979 0.00 0.00 +0.054 C ATOM 19 C LIG 1 4.009 0.820 1.477 0.00 0.00 +0.113 C ATOM 20 N LIG 1 4.903 0.304 0.441 0.00 0.00 -0.297 N ATOM 21 C LIG 1 6.210 0.797 0.409 0.00 0.00 +0.216 C ATOM 22 O LIG 1 6.573 1.716 1.140 0.00 0.00 -0.276 OA ATOM 23 C LIG 1 4.531 -0.974 -0.161 0.00 0.00 +0.135 C ATOM 24 C LIG 1 3.046 -1.172 -0.232 0.00 0.00 -0.004 C BRANCH 21 25 ATOM 25 C LIG 1 7.155 0.141 -0.601 0.00 0.00 +0.102 C BRANCH 25 26 ATOM 26 C LIG 1 8.611 0.669 -0.673 0.00 0.00 -0.029 C ATOM 27 C LIG 1 8.658 2.150 -1.086 0.00 0.00 +0.011 C ATOM 28 C LIG 1 9.353 0.468 0.659 0.00 0.00 +0.011 C ATOM 29 C LIG 1 9.351 -0.148 -1.756 0.00 0.00 +0.011 C ENDBRANCH 25 26 ENDBRANCH 21 25 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -2.507 1.238 -0.656 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -3.454 0.869 -0.719 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -2.267 2.554 -0.958 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -1.194 3.140 -0.970 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -3.508 3.281 -1.347 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -4.540 3.687 -0.399 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -5.621 4.354 -0.852 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -5.766 4.671 -2.295 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -6.752 5.260 -2.717 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -4.734 4.262 -3.102 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -4.822 4.496 -4.085 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -3.626 3.590 -2.648 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -4.351 3.374 1.051 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -4.439 2.039 1.283 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -5.301 3.954 1.831 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.154 3.788 1.528 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 7