REMARK Name = BDB039197 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 6.376 0.824 0.746 0.00 0.00 +0.403 C ATOM 2 N LIG 1 5.376 0.032 0.211 0.00 0.00 -0.263 N ATOM 3 C LIG 1 4.005 0.514 0.337 0.00 0.00 +0.148 C ATOM 4 C LIG 1 2.946 -0.507 0.004 0.00 0.00 +0.001 A ATOM 5 C LIG 1 3.276 -1.797 -0.471 0.00 0.00 -0.039 A ATOM 6 C LIG 1 2.272 -2.731 -0.760 0.00 0.00 +0.006 A ATOM 7 C LIG 1 0.917 -2.417 -0.614 0.00 0.00 +0.028 A ATOM 8 C LIG 1 0.597 -1.133 -0.161 0.00 0.00 +0.070 A ATOM 9 N LIG 1 -0.594 -0.484 0.112 0.00 0.00 -0.320 N ATOM 10 C LIG 1 -0.292 0.817 0.484 0.00 0.00 +0.142 A ATOM 11 N LIG 1 1.012 0.988 0.546 0.00 0.00 -0.227 NA ATOM 12 C LIG 1 4.725 -2.192 -0.612 0.00 0.00 +0.054 C ATOM 13 C LIG 1 1.577 -0.192 0.139 0.00 0.00 +0.095 A ATOM 14 C LIG 1 5.627 -0.977 -0.810 0.00 0.00 +0.116 C ATOM 15 O LIG 1 6.171 1.813 1.439 0.00 0.00 -0.226 OA ENDROOT BRANCH 10 16 ATOM 16 C LIG 1 -1.260 1.867 0.795 0.00 0.00 +0.020 A ATOM 17 C LIG 1 -2.142 2.347 -0.179 0.00 0.00 +0.050 A ATOM 18 C LIG 1 -3.058 3.351 0.135 0.00 0.00 +0.138 A ATOM 19 F LIG 1 -3.874 3.768 -0.844 0.00 0.00 -0.205 F ATOM 20 C LIG 1 -3.104 3.902 1.417 0.00 0.00 +0.094 A ATOM 21 C LIG 1 -2.198 3.446 2.385 0.00 0.00 +0.018 A ATOM 22 C LIG 1 -1.281 2.437 2.073 0.00 0.00 +0.012 A BRANCH 20 23 ATOM 23 C LIG 1 -4.055 4.963 1.808 0.00 0.00 +0.340 C ATOM 24 O LIG 1 -3.990 5.617 2.834 0.00 0.00 -0.245 OA BRANCH 23 25 ATOM 25 O LIG 1 -5.064 5.138 0.941 0.00 0.00 -0.477 OA ATOM 26 H LIG 1 -5.601 5.859 1.331 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 10 16 BRANCH 1 28 ATOM 27 C LIG 1 8.682 1.174 0.961 0.00 0.00 +0.282 C ATOM 28 O LIG 1 7.623 0.384 0.420 0.00 0.00 -0.454 OA ENDBRANCH 1 28 BRANCH 9 29 ATOM 29 C LIG 1 -1.939 -1.069 0.064 0.00 0.00 +0.091 C ATOM 30 C LIG 1 -2.080 -2.259 1.022 0.00 0.00 +0.031 C BRANCH 29 31 ATOM 31 C LIG 1 -2.357 -1.391 -1.384 0.00 0.00 +0.060 C BRANCH 31 32 ATOM 32 C LIG 1 -3.837 -1.651 -1.533 0.00 0.00 -0.045 A ATOM 33 C LIG 1 -4.322 -2.962 -1.636 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -5.692 -3.202 -1.757 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.589 -2.136 -1.776 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.117 -0.829 -1.677 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -4.748 -0.586 -1.556 0.00 0.00 +0.004 A ENDBRANCH 31 32 ENDBRANCH 29 31 ENDBRANCH 9 29 TORSDOF 7