REMARK Name = BDB025932 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.612 0.182 -0.528 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.719 0.578 0.504 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.666 0.548 0.303 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.203 0.149 -0.931 0.00 0.00 +0.015 A ATOM 5 C LIG 1 0.313 -0.219 -1.945 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.767 -0.583 -3.154 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.069 -0.205 -1.752 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.537 -3.318 -0.091 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.030 -2.052 -0.801 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.080 -1.411 -1.651 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.569 -2.334 -2.682 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.538 -0.158 -2.259 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.620 0.630 -3.020 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.907 0.819 -1.221 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -2.992 0.186 -0.256 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.504 -1.086 0.296 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.666 0.112 -1.124 0.00 0.00 -0.038 C ATOM 18 C LIG 1 3.304 -1.143 -1.702 0.00 0.00 +0.058 C ATOM 19 C LIG 1 4.828 -0.972 -1.958 0.00 0.00 +0.081 C ATOM 20 N LIG 1 5.375 -0.259 -0.795 0.00 0.00 -0.290 N ATOM 21 C LIG 1 4.957 1.133 -0.986 0.00 0.00 +0.100 C ATOM 22 C LIG 1 5.269 1.385 -2.469 0.00 0.00 +0.028 C ATOM 23 C LIG 1 5.099 0.004 -3.128 0.00 0.00 +0.025 C ATOM 24 C LIG 1 3.450 1.162 -0.793 0.00 0.00 -0.001 C BRANCH 20 25 ATOM 25 C LIG 1 6.717 -0.468 -0.514 0.00 0.00 +0.218 A ATOM 26 N LIG 1 7.421 0.514 0.075 0.00 0.00 -0.223 NA ATOM 27 C LIG 1 8.711 0.272 0.375 0.00 0.00 +0.116 A ATOM 28 C LIG 1 9.341 -0.914 0.108 0.00 0.00 +0.039 A ATOM 29 C LIG 1 8.555 -1.860 -0.495 0.00 0.00 +0.116 A ATOM 30 N LIG 1 7.262 -1.661 -0.812 0.00 0.00 -0.223 NA ENDBRANCH 20 25 ENDBRANCH 4 17 BRANCH 2 31 ATOM 31 N LIG 1 -1.329 1.019 1.700 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -2.345 0.988 1.638 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -0.731 1.543 2.817 0.00 0.00 +0.250 C ATOM 34 O LIG 1 0.462 1.729 3.016 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -1.722 1.968 3.845 0.00 0.00 +0.065 A ATOM 36 C LIG 1 -2.489 1.040 4.667 0.00 0.00 +0.073 A ATOM 37 C LIG 1 -3.352 1.530 5.580 0.00 0.00 +0.083 A ATOM 38 C LIG 1 -3.526 2.994 5.749 0.00 0.00 +0.249 A ATOM 39 O LIG 1 -4.318 3.448 6.564 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -2.749 3.784 4.939 0.00 0.00 -0.328 N ATOM 41 H LIG 1 -2.852 4.784 5.066 0.00 0.00 +0.168 HD ATOM 42 C LIG 1 -1.862 3.292 4.013 0.00 0.00 +0.099 A BRANCH 36 43 ATOM 43 C LIG 1 -2.270 -0.430 4.494 0.00 0.00 +0.418 C ATOM 44 F LIG 1 -2.748 -0.863 3.300 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -0.964 -0.779 4.559 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -2.912 -1.161 5.444 0.00 0.00 -0.166 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 2 31 TORSDOF 6