REMARK Name = BDB022507 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.582 -1.011 -0.186 0.00 0.00 +0.051 A ATOM 2 C LIG 1 -0.988 0.273 -0.167 0.00 0.00 +0.055 A ATOM 3 C LIG 1 0.395 0.411 -0.030 0.00 0.00 +0.033 A ATOM 4 C LIG 1 1.222 -0.718 0.103 0.00 0.00 -0.012 A ATOM 5 C LIG 1 0.622 -1.988 0.102 0.00 0.00 +0.010 A ATOM 6 C LIG 1 -0.761 -2.134 -0.042 0.00 0.00 +0.025 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 -5.584 -4.373 -0.695 0.00 0.00 +0.105 C ATOM 8 N LIG 1 -5.331 -2.984 -0.324 0.00 0.00 -0.302 NA ATOM 9 C LIG 1 -4.916 -2.167 -1.487 0.00 0.00 +0.103 C ATOM 10 C LIG 1 -3.406 -1.845 -1.544 0.00 0.00 +0.120 C ATOM 11 N LIG 1 -2.989 -1.101 -0.332 0.00 0.00 -0.326 N ATOM 12 C LIG 1 -3.679 -1.521 0.916 0.00 0.00 +0.120 C ATOM 13 C LIG 1 -4.344 -2.909 0.777 0.00 0.00 +0.103 C ENDBRANCH 1 11 BRANCH 4 14 ATOM 14 C LIG 1 2.676 -0.578 0.252 0.00 0.00 +0.037 A ATOM 15 C LIG 1 3.473 0.055 -0.699 0.00 0.00 +0.223 A ATOM 16 F LIG 1 2.896 0.545 -1.810 0.00 0.00 -0.183 F ATOM 17 N LIG 1 4.816 0.202 -0.614 0.00 0.00 -0.204 NA ATOM 18 C LIG 1 5.453 -0.291 0.467 0.00 0.00 +0.124 A ATOM 19 C LIG 1 4.731 -0.929 1.475 0.00 0.00 +0.044 A ATOM 20 C LIG 1 3.346 -1.077 1.368 0.00 0.00 +0.016 A BRANCH 18 21 ATOM 21 N LIG 1 6.813 -0.118 0.555 0.00 0.00 -0.315 N ATOM 22 C LIG 1 7.529 0.521 -0.543 0.00 0.00 +0.106 C ATOM 23 C LIG 1 8.983 0.460 -0.085 0.00 0.00 +0.020 C ATOM 24 C LIG 1 9.045 -0.871 0.647 0.00 0.00 +0.020 C ATOM 25 C LIG 1 7.694 -0.952 1.361 0.00 0.00 +0.106 C ENDBRANCH 18 21 ENDBRANCH 4 14 BRANCH 2 26 ATOM 26 N LIG 1 -1.886 1.354 -0.291 0.00 0.00 -0.280 N ATOM 27 H LIG 1 -2.848 1.030 -0.383 0.00 0.00 +0.155 HD ATOM 28 C LIG 1 -1.608 2.696 -0.298 0.00 0.00 +0.250 C ATOM 29 O LIG 1 -0.515 3.240 -0.221 0.00 0.00 -0.270 OA BRANCH 28 30 ATOM 30 C LIG 1 -2.834 3.525 -0.461 0.00 0.00 +0.065 A ATOM 31 C LIG 1 -3.849 3.686 0.575 0.00 0.00 +0.073 A ATOM 32 C LIG 1 -4.921 4.466 0.327 0.00 0.00 +0.083 A ATOM 33 C LIG 1 -5.071 5.156 -0.979 0.00 0.00 +0.249 A ATOM 34 O LIG 1 -6.048 5.854 -1.217 0.00 0.00 -0.268 OA ATOM 35 N LIG 1 -4.054 4.956 -1.879 0.00 0.00 -0.328 N ATOM 36 H LIG 1 -4.146 5.442 -2.764 0.00 0.00 +0.168 HD ATOM 37 C LIG 1 -2.957 4.168 -1.633 0.00 0.00 +0.099 A BRANCH 31 38 ATOM 38 C LIG 1 -3.650 3.007 1.894 0.00 0.00 +0.418 C ATOM 39 F LIG 1 -2.439 3.266 2.440 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -4.576 3.391 2.813 0.00 0.00 -0.166 F ATOM 41 F LIG 1 -3.767 1.660 1.783 0.00 0.00 -0.166 F ENDBRANCH 31 38 ENDBRANCH 28 30 ENDBRANCH 2 26 TORSDOF 6