REMARK Name = BDB026281 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.068 -1.199 0.081 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -2.403 -0.059 -0.427 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -1.006 -0.012 -0.471 0.00 0.00 +0.036 A ATOM 4 C LIG 1 -0.229 -1.088 -0.001 0.00 0.00 +0.019 A ATOM 5 C LIG 1 -0.911 -2.205 0.507 0.00 0.00 +0.133 A ATOM 6 F LIG 1 -0.224 -3.255 0.984 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -2.304 -2.270 0.549 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -6.584 -2.636 2.980 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.989 -2.619 1.566 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -7.062 -2.668 0.538 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -7.701 -3.984 0.470 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -6.578 -2.253 -0.808 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -7.275 -0.937 -1.174 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -5.036 -2.125 -0.934 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -4.484 -1.207 0.087 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -5.090 -1.354 1.434 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 1.245 -1.030 -0.045 0.00 0.00 -0.010 A ATOM 18 C LIG 1 2.006 -2.101 -0.537 0.00 0.00 +0.048 A ATOM 19 C LIG 1 3.403 -2.040 -0.579 0.00 0.00 +0.139 A ATOM 20 F LIG 1 4.046 -3.117 -1.052 0.00 0.00 -0.205 F ATOM 21 C LIG 1 4.094 -0.913 -0.135 0.00 0.00 +0.107 A ATOM 22 C LIG 1 3.339 0.153 0.353 0.00 0.00 +0.139 A ATOM 23 F LIG 1 3.931 1.275 0.795 0.00 0.00 -0.205 F ATOM 24 C LIG 1 1.943 0.102 0.399 0.00 0.00 +0.048 A BRANCH 21 25 ATOM 25 C LIG 1 5.581 -0.879 -0.198 0.00 0.00 +0.250 C ATOM 26 N LIG 1 6.218 0.135 0.494 0.00 0.00 -0.308 N ATOM 27 H LIG 1 5.651 0.899 0.843 0.00 0.00 +0.149 HD ATOM 28 O LIG 1 6.199 -1.718 -0.843 0.00 0.00 -0.270 OA BRANCH 26 29 ATOM 29 C LIG 1 7.657 0.356 0.389 0.00 0.00 +0.079 C ATOM 30 C LIG 1 8.285 0.955 1.694 0.00 0.00 -0.016 C ATOM 31 C LIG 1 8.530 -0.197 2.693 0.00 0.00 +0.013 C ATOM 32 C LIG 1 7.370 1.988 2.387 0.00 0.00 +0.013 C ATOM 33 C LIG 1 9.636 1.664 1.383 0.00 0.00 +0.008 C ATOM 34 C LIG 1 10.332 1.094 0.153 0.00 0.00 +0.001 C ATOM 35 C LIG 1 9.483 1.282 -1.104 0.00 0.00 +0.002 C ATOM 36 C LIG 1 7.977 1.221 -0.836 0.00 0.00 +0.023 C ENDBRANCH 26 29 ENDBRANCH 21 25 ENDBRANCH 4 17 BRANCH 2 37 ATOM 37 N LIG 1 -3.245 0.985 -0.865 0.00 0.00 -0.280 N ATOM 38 H LIG 1 -4.230 0.743 -0.762 0.00 0.00 +0.155 HD ATOM 39 C LIG 1 -2.889 2.226 -1.327 0.00 0.00 +0.250 C ATOM 40 O LIG 1 -1.763 2.694 -1.425 0.00 0.00 -0.270 OA BRANCH 39 41 ATOM 41 C LIG 1 -4.073 3.060 -1.678 0.00 0.00 +0.065 A ATOM 42 C LIG 1 -4.926 2.811 -2.834 0.00 0.00 +0.073 A ATOM 43 C LIG 1 -5.972 3.629 -3.067 0.00 0.00 +0.083 A ATOM 44 C LIG 1 -6.257 4.771 -2.162 0.00 0.00 +0.249 A ATOM 45 O LIG 1 -7.212 5.511 -2.358 0.00 0.00 -0.268 OA ATOM 46 N LIG 1 -5.387 4.931 -1.113 0.00 0.00 -0.328 N ATOM 47 H LIG 1 -5.571 5.721 -0.504 0.00 0.00 +0.168 HD ATOM 48 C LIG 1 -4.316 4.106 -0.872 0.00 0.00 +0.099 A BRANCH 42 49 ATOM 49 C LIG 1 -4.592 1.673 -3.747 0.00 0.00 +0.418 C ATOM 50 F LIG 1 -4.806 0.476 -3.146 0.00 0.00 -0.166 F ATOM 51 F LIG 1 -5.356 1.673 -4.871 0.00 0.00 -0.166 F ATOM 52 F LIG 1 -3.302 1.694 -4.158 0.00 0.00 -0.166 F ENDBRANCH 42 49 ENDBRANCH 39 41 ENDBRANCH 2 37 TORSDOF 7