REMARK Name = BDB027382 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.644 -1.501 0.757 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -1.394 -0.419 1.256 0.00 0.00 -0.003 A ATOM 3 C LIG 1 -2.788 -0.578 1.422 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -3.418 -1.771 1.064 0.00 0.00 +0.071 A ATOM 5 N LIG 1 -2.713 -2.808 0.562 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -1.373 -2.652 0.428 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 -4.876 -1.988 1.188 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -5.548 -2.844 0.291 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -6.926 -3.063 0.381 0.00 0.00 +0.039 A ATOM 10 C LIG 1 -7.653 -2.427 1.374 0.00 0.00 +0.123 A ATOM 11 F LIG 1 -8.973 -2.632 1.463 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -7.028 -1.584 2.281 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -5.648 -1.368 2.190 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 16 ATOM 14 C LIG 1 2.877 -1.785 -0.705 0.00 0.00 +0.075 C ATOM 15 C LIG 1 1.347 -2.079 -0.557 0.00 0.00 +0.133 C ATOM 16 N LIG 1 0.755 -1.420 0.635 0.00 0.00 -0.326 N ATOM 17 C LIG 1 1.464 -1.631 1.915 0.00 0.00 +0.105 C ATOM 18 C LIG 1 2.679 -2.542 1.755 0.00 0.00 +0.021 C ATOM 19 C LIG 1 3.612 -2.051 0.647 0.00 0.00 +0.031 C BRANCH 14 22 ATOM 20 C LIG 1 4.915 1.039 -2.024 0.00 0.00 +0.041 A ATOM 21 N LIG 1 4.526 -0.184 -1.587 0.00 0.00 -0.255 NA ATOM 22 C LIG 1 3.229 -0.362 -1.190 0.00 0.00 +0.063 A ATOM 23 C LIG 1 2.311 0.681 -1.246 0.00 0.00 +0.025 A ATOM 24 C LIG 1 2.726 1.932 -1.694 0.00 0.00 +0.004 A ATOM 25 C LIG 1 4.044 2.119 -2.087 0.00 0.00 +0.023 A BRANCH 20 27 ATOM 26 C LIG 1 7.219 1.562 -1.204 0.00 0.00 +0.010 C ATOM 27 C LIG 1 6.363 1.202 -2.410 0.00 0.00 +0.052 C ENDBRANCH 20 27 ENDBRANCH 14 22 BRANCH 14 28 ATOM 28 N LIG 1 3.422 -2.760 -1.708 0.00 0.00 -0.319 NA ATOM 29 H LIG 1 3.002 -2.541 -2.615 0.00 0.00 +0.119 HD ATOM 30 H LIG 1 4.405 -2.487 -1.833 0.00 0.00 +0.119 HD ENDBRANCH 14 28 ENDBRANCH 1 16 BRANCH 2 31 ATOM 31 C LIG 1 -0.727 0.885 1.639 0.00 0.00 +0.161 C BRANCH 31 32 ATOM 32 N LIG 1 -1.465 2.062 1.206 0.00 0.00 -0.310 N ATOM 33 C LIG 1 -1.547 2.545 -0.073 0.00 0.00 +0.166 A ATOM 34 C LIG 1 -2.328 3.686 0.030 0.00 0.00 +0.147 A ATOM 35 C LIG 1 -2.576 4.391 -1.161 0.00 0.00 +0.147 A ATOM 36 N LIG 1 -2.067 3.907 -2.318 0.00 0.00 -0.219 NA ATOM 37 C LIG 1 -1.325 2.779 -2.266 0.00 0.00 +0.225 A ATOM 38 N LIG 1 -2.713 3.902 1.339 0.00 0.00 -0.231 NA ATOM 39 N LIG 1 -1.001 2.034 -1.188 0.00 0.00 -0.216 NA ATOM 40 C LIG 1 -2.156 2.921 2.020 0.00 0.00 +0.202 A BRANCH 35 41 ATOM 41 N LIG 1 -3.323 5.560 -1.210 0.00 0.00 -0.341 N ATOM 42 H LIG 1 -3.672 5.762 -2.137 0.00 0.00 +0.144 HD ATOM 43 H LIG 1 -3.951 5.678 -0.423 0.00 0.00 +0.144 HD ENDBRANCH 35 41 ENDBRANCH 31 32 ENDBRANCH 2 31 TORSDOF 8