REMARK Name = BDB026146 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.192 -0.214 -0.699 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -2.034 1.011 -0.004 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -0.836 1.732 -0.089 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.236 1.270 -0.873 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.057 0.059 -1.556 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.042 -0.434 -2.323 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.128 -0.674 -1.474 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.062 -4.370 1.147 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.090 -3.367 -0.012 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -3.986 -3.791 -1.127 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.373 -3.999 -0.705 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.853 -2.793 -2.225 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.698 -3.136 -3.458 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -4.110 -1.320 -1.794 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.407 -0.915 -0.555 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.380 -1.938 0.519 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 1.489 2.038 -0.971 0.00 0.00 +0.005 A ATOM 18 C LIG 1 2.748 1.433 -0.819 0.00 0.00 +0.035 A ATOM 19 C LIG 1 3.926 2.182 -0.919 0.00 0.00 +0.055 A ATOM 20 C LIG 1 3.798 3.542 -1.172 0.00 0.00 +0.134 A ATOM 21 N LIG 1 2.608 4.173 -1.326 0.00 0.00 -0.261 NA ATOM 22 C LIG 1 1.495 3.411 -1.221 0.00 0.00 +0.119 A BRANCH 19 23 ATOM 23 N LIG 1 5.147 1.505 -0.755 0.00 0.00 -0.250 N ATOM 24 H LIG 1 5.128 0.511 -0.573 0.00 0.00 +0.158 HD ATOM 25 C LIG 1 6.406 2.029 -0.815 0.00 0.00 +0.405 C ATOM 26 O LIG 1 6.723 3.188 -1.026 0.00 0.00 -0.226 OA BRANCH 25 27 ATOM 27 O LIG 1 7.291 1.024 -0.596 0.00 0.00 -0.445 OA BRANCH 27 28 ATOM 28 C LIG 1 8.658 1.441 -0.631 0.00 0.00 +0.269 C BRANCH 28 29 ATOM 29 C LIG 1 9.513 0.236 -0.332 0.00 0.00 -0.010 A ATOM 30 C LIG 1 9.898 -0.636 -1.361 0.00 0.00 +0.007 A ATOM 31 C LIG 1 10.675 -1.761 -1.081 0.00 0.00 +0.000 A ATOM 32 C LIG 1 11.067 -2.030 0.229 0.00 0.00 +0.000 A ATOM 33 C LIG 1 10.681 -1.177 1.262 0.00 0.00 +0.000 A ATOM 34 C LIG 1 9.904 -0.051 0.984 0.00 0.00 +0.007 A ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 25 27 ENDBRANCH 19 23 ENDBRANCH 4 17 BRANCH 2 35 ATOM 35 N LIG 1 -3.156 1.440 0.739 0.00 0.00 -0.280 N ATOM 36 H LIG 1 -3.934 0.788 0.658 0.00 0.00 +0.155 HD ATOM 37 C LIG 1 -3.311 2.605 1.446 0.00 0.00 +0.250 C ATOM 38 O LIG 1 -2.506 3.517 1.575 0.00 0.00 -0.270 OA BRANCH 37 39 ATOM 39 C LIG 1 -4.665 2.725 2.058 0.00 0.00 +0.065 A ATOM 40 C LIG 1 -5.122 1.920 3.186 0.00 0.00 +0.073 A ATOM 41 C LIG 1 -6.363 2.121 3.675 0.00 0.00 +0.083 A ATOM 42 C LIG 1 -7.258 3.143 3.076 0.00 0.00 +0.249 A ATOM 43 O LIG 1 -8.392 3.318 3.502 0.00 0.00 -0.268 OA ATOM 44 N LIG 1 -6.730 3.858 2.031 0.00 0.00 -0.328 N ATOM 45 H LIG 1 -7.332 4.571 1.635 0.00 0.00 +0.168 HD ATOM 46 C LIG 1 -5.465 3.667 1.533 0.00 0.00 +0.099 A BRANCH 40 47 ATOM 47 C LIG 1 -4.188 0.918 3.786 0.00 0.00 +0.418 C ATOM 48 F LIG 1 -2.976 1.443 4.088 0.00 0.00 -0.166 F ATOM 49 F LIG 1 -4.675 0.383 4.936 0.00 0.00 -0.166 F ATOM 50 F LIG 1 -3.979 -0.126 2.944 0.00 0.00 -0.166 F ENDBRANCH 40 47 ENDBRANCH 37 39 ENDBRANCH 2 35 TORSDOF 9