REMARK Name = BDB009878 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.755 -1.663 -0.612 0.00 0.00 +0.144 A ATOM 2 N LIG 1 0.580 -0.925 -0.635 0.00 0.00 -0.315 N ATOM 3 C LIG 1 -0.432 -1.717 -0.134 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.189 -2.930 0.111 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -0.436 -4.024 0.571 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -1.750 -3.804 0.757 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -2.437 -2.661 0.556 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -1.796 -1.564 0.113 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.518 -2.887 -0.179 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 4.932 0.358 -0.920 0.00 0.00 +0.121 A ATOM 11 C LIG 1 3.695 -0.095 -0.456 0.00 0.00 +0.057 A ATOM 12 C LIG 1 3.062 -1.188 -1.068 0.00 0.00 +0.021 A ATOM 13 C LIG 1 3.702 -1.851 -2.122 0.00 0.00 +0.012 A ATOM 14 C LIG 1 4.938 -1.405 -2.586 0.00 0.00 +0.004 A ATOM 15 C LIG 1 5.544 -0.300 -1.990 0.00 0.00 +0.045 A BRANCH 10 17 ATOM 16 C LIG 1 5.078 2.104 0.691 0.00 0.00 +0.277 C ATOM 17 O LIG 1 5.638 1.417 -0.422 0.00 0.00 -0.495 OA ENDBRANCH 10 17 ENDBRANCH 1 12 BRANCH 6 18 ATOM 18 C LIG 1 -2.517 -4.995 1.265 0.00 0.00 +0.375 C ATOM 19 O LIG 1 -3.709 -5.026 1.518 0.00 0.00 -0.242 OA BRANCH 18 20 ATOM 20 O LIG 1 -1.696 -6.073 1.419 0.00 0.00 -0.475 OA ATOM 21 H LIG 1 -0.773 -5.835 1.162 0.00 0.00 +0.296 HD ENDBRANCH 18 20 ENDBRANCH 6 18 BRANCH 8 22 ATOM 22 N LIG 1 -2.466 -0.370 -0.080 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -1.904 0.446 0.125 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 -3.867 -0.183 0.305 0.00 0.00 +0.072 C ATOM 25 C LIG 1 -4.088 -0.320 1.808 0.00 0.00 +0.028 C BRANCH 24 26 ATOM 26 C LIG 1 -4.791 -1.054 -0.504 0.00 0.00 +0.009 C ATOM 27 C LIG 1 -4.966 -0.819 -1.985 0.00 0.00 +0.005 C ATOM 28 C LIG 1 -6.093 -0.509 -1.040 0.00 0.00 +0.005 C ENDBRANCH 24 26 ENDBRANCH 22 24 ENDBRANCH 8 22 BRANCH 2 29 ATOM 29 C LIG 1 0.419 0.386 -1.252 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 C LIG 1 0.627 1.553 -0.308 0.00 0.00 -0.028 A ATOM 31 C LIG 1 0.942 2.802 -0.867 0.00 0.00 +0.006 A ATOM 32 C LIG 1 1.127 3.927 -0.058 0.00 0.00 +0.013 A ATOM 33 C LIG 1 0.996 3.833 1.333 0.00 0.00 +0.055 A ATOM 34 C LIG 1 0.664 2.594 1.895 0.00 0.00 +0.013 A ATOM 35 C LIG 1 0.479 1.468 1.085 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 1.191 5.057 2.196 0.00 0.00 +0.417 C ATOM 37 F LIG 1 1.256 4.777 3.527 0.00 0.00 -0.166 F ATOM 38 F LIG 1 0.183 5.960 2.050 0.00 0.00 -0.166 F ATOM 39 F LIG 1 2.341 5.724 1.900 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 2 29 TORSDOF 10