REMARK Name = BDB010799 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.311 -2.314 -1.395 0.00 0.00 +0.120 A ATOM 2 N LIG 1 -0.198 -0.990 -0.995 0.00 0.00 -0.323 N ATOM 3 C LIG 1 1.089 -0.803 -0.527 0.00 0.00 +0.128 A ATOM 4 C LIG 1 1.630 -2.077 -0.524 0.00 0.00 +0.184 A ATOM 5 N LIG 1 2.857 -2.382 -0.077 0.00 0.00 -0.203 NA ATOM 6 C LIG 1 3.506 -1.302 0.377 0.00 0.00 +0.203 A ATOM 7 N LIG 1 3.077 -0.026 0.401 0.00 0.00 -0.208 NA ATOM 8 C LIG 1 1.852 0.272 -0.073 0.00 0.00 +0.149 A ATOM 9 N LIG 1 0.774 -2.989 -1.058 0.00 0.00 -0.212 NA ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 4.867 -1.560 0.899 0.00 0.00 +0.220 A ATOM 11 N LIG 1 5.344 -2.817 0.893 0.00 0.00 -0.269 N ATOM 12 H LIG 1 4.874 -3.644 0.562 0.00 0.00 +0.174 HD ATOM 13 C LIG 1 6.577 -2.768 1.412 0.00 0.00 +0.440 A ATOM 14 O LIG 1 7.328 -3.717 1.569 0.00 0.00 -0.221 OA ATOM 15 O LIG 1 6.859 -1.465 1.739 0.00 0.00 -0.295 OA ATOM 16 N LIG 1 5.702 -0.698 1.383 0.00 0.00 -0.051 NA ENDBRANCH 6 10 BRANCH 1 18 ATOM 17 C LIG 1 -1.067 -4.081 -3.017 0.00 0.00 +0.021 C ATOM 18 C LIG 1 -1.500 -2.911 -2.122 0.00 0.00 +0.085 C BRANCH 18 19 ATOM 19 C LIG 1 -2.602 -3.358 -1.179 0.00 0.00 -0.002 A ATOM 20 C LIG 1 -3.917 -2.927 -1.382 0.00 0.00 +0.127 A ATOM 21 F LIG 1 -4.197 -2.097 -2.397 0.00 0.00 -0.205 F ATOM 22 C LIG 1 -4.952 -3.321 -0.538 0.00 0.00 +0.038 A ATOM 23 C LIG 1 -4.683 -4.166 0.536 0.00 0.00 +0.003 A ATOM 24 C LIG 1 -3.381 -4.616 0.754 0.00 0.00 +0.000 A ATOM 25 C LIG 1 -2.348 -4.222 -0.100 0.00 0.00 +0.007 A ENDBRANCH 18 19 ENDBRANCH 1 18 BRANCH 8 26 ATOM 26 N LIG 1 1.407 1.585 -0.083 0.00 0.00 -0.324 N ATOM 27 H LIG 1 0.837 1.815 -0.886 0.00 0.00 +0.148 HD BRANCH 26 28 ATOM 28 C LIG 1 2.340 2.649 0.303 0.00 0.00 +0.072 C ATOM 29 C LIG 1 1.499 3.806 0.847 0.00 0.00 +0.028 C BRANCH 28 30 ATOM 30 C LIG 1 3.221 3.054 -0.886 0.00 0.00 +0.009 C ATOM 31 C LIG 1 4.190 4.263 -0.757 0.00 0.00 +0.005 C ATOM 32 C LIG 1 3.970 4.507 -2.264 0.00 0.00 +0.001 C ATOM 33 C LIG 1 2.612 3.788 -2.114 0.00 0.00 +0.005 C ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 8 26 BRANCH 2 34 ATOM 34 C LIG 1 -1.233 0.029 -1.073 0.00 0.00 +0.127 C BRANCH 34 35 ATOM 35 C LIG 1 -1.729 0.560 0.289 0.00 0.00 +0.009 C ATOM 36 C LIG 1 -2.536 -0.476 1.076 0.00 0.00 +0.005 C ATOM 37 C LIG 1 -2.927 0.042 2.464 0.00 0.00 +0.003 C ATOM 38 C LIG 1 -3.337 1.526 2.494 0.00 0.00 -0.014 C ATOM 39 C LIG 1 -2.268 2.389 3.171 0.00 0.00 +0.007 C ATOM 40 C LIG 1 -3.675 2.046 1.094 0.00 0.00 +0.003 C ATOM 41 C LIG 1 -2.548 1.849 0.077 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 2 34 TORSDOF 8