REMARK Name = BDB006714 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 2.912 -0.313 0.343 0.00 0.00 -0.223 N ATOM 2 C LIG 1 1.546 -0.392 0.320 0.00 0.00 +0.135 A ATOM 3 C LIG 1 0.495 -1.159 -0.264 0.00 0.00 +0.270 C ATOM 4 N LIG 1 -0.714 -0.584 0.242 0.00 0.00 -0.253 N ATOM 5 C LIG 1 -0.427 0.609 1.103 0.00 0.00 +0.149 C ATOM 6 O LIG 1 0.621 -2.091 -1.039 0.00 0.00 -0.268 OA ATOM 7 C LIG 1 1.045 0.631 1.071 0.00 0.00 +0.031 A ATOM 8 C LIG 1 2.145 1.345 1.529 0.00 0.00 +0.066 A ATOM 9 C LIG 1 2.189 2.555 2.381 0.00 0.00 +0.068 C ATOM 10 N LIG 1 3.275 0.806 1.053 0.00 0.00 -0.170 NA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.015 -1.047 0.021 0.00 0.00 +0.055 A ATOM 12 C LIG 1 -3.086 -0.524 0.658 0.00 0.00 +0.118 A ATOM 13 N LIG 1 -4.363 -1.016 0.405 0.00 0.00 -0.285 N ATOM 14 C LIG 1 -4.630 -2.041 -0.480 0.00 0.00 +0.164 A ATOM 15 N LIG 1 -5.923 -2.279 -0.501 0.00 0.00 -0.129 NA ATOM 16 N LIG 1 -6.527 -1.408 0.375 0.00 0.00 -0.134 NA ATOM 17 C LIG 1 -3.531 -2.629 -1.180 0.00 0.00 -0.004 A ATOM 18 C LIG 1 -3.718 -3.748 -2.172 0.00 0.00 +0.047 C ATOM 19 C LIG 1 -5.592 -0.653 0.915 0.00 0.00 +0.135 A ATOM 20 C LIG 1 -5.799 0.421 1.911 0.00 0.00 +0.088 C ATOM 21 C LIG 1 -2.292 -2.139 -0.925 0.00 0.00 +0.032 A ENDBRANCH 4 11 BRANCH 5 22 ATOM 22 C LIG 1 -0.878 1.931 0.523 0.00 0.00 +0.013 A ATOM 23 C LIG 1 -1.378 2.913 1.390 0.00 0.00 +0.131 A ATOM 24 F LIG 1 -1.457 2.653 2.703 0.00 0.00 -0.205 F ATOM 25 C LIG 1 -1.804 4.152 0.929 0.00 0.00 +0.077 A ATOM 26 C LIG 1 -1.731 4.422 -0.429 0.00 0.00 +0.126 A ATOM 27 F LIG 1 -2.139 5.612 -0.888 0.00 0.00 -0.205 F ATOM 28 C LIG 1 -1.242 3.475 -1.323 0.00 0.00 +0.039 A ATOM 29 C LIG 1 -0.815 2.232 -0.851 0.00 0.00 +0.011 A ENDBRANCH 5 22 BRANCH 1 31 ATOM 30 C LIG 1 5.222 -0.777 -0.426 0.00 0.00 +0.145 A ATOM 31 C LIG 1 3.897 -1.193 -0.195 0.00 0.00 +0.108 A ATOM 32 C LIG 1 3.570 -2.530 -0.469 0.00 0.00 +0.031 A ATOM 33 C LIG 1 4.530 -3.422 -0.962 0.00 0.00 +0.002 A ATOM 34 C LIG 1 5.837 -3.000 -1.173 0.00 0.00 +0.004 A ATOM 35 C LIG 1 6.184 -1.682 -0.895 0.00 0.00 +0.048 A BRANCH 30 37 ATOM 36 C LIG 1 5.457 1.319 -1.341 0.00 0.00 +0.277 C ATOM 37 O LIG 1 5.675 0.496 -0.196 0.00 0.00 -0.493 OA ENDBRANCH 30 37 ENDBRANCH 1 31 TORSDOF 4