REMARK Name = BDB016344 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.137 1.312 0.115 0.00 0.00 +0.005 A ATOM 2 C LIG 1 -1.064 0.532 -0.006 0.00 0.00 +0.057 A ATOM 3 N LIG 1 -0.924 -0.861 0.064 0.00 0.00 -0.339 N ATOM 4 H LIG 1 0.015 -1.160 -0.194 0.00 0.00 +0.146 HD ATOM 5 C LIG 1 -1.930 -1.809 -0.380 0.00 0.00 +0.076 C ATOM 6 C LIG 1 -3.180 -1.695 0.455 0.00 0.00 +0.118 C ATOM 7 C LIG 1 -4.069 -0.574 0.034 0.00 0.00 +0.219 C ATOM 8 N LIG 1 -3.588 0.676 -0.154 0.00 0.00 -0.284 N ATOM 9 H LIG 1 -4.349 1.320 -0.338 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 -5.284 -0.756 -0.093 0.00 0.00 -0.275 OA ATOM 11 C LIG 1 -2.128 -1.780 -1.893 0.00 0.00 +0.028 C ATOM 12 C LIG 1 -2.292 1.228 -0.105 0.00 0.00 +0.055 A ATOM 13 C LIG 1 -2.291 2.637 -0.187 0.00 0.00 +0.025 A ATOM 14 C LIG 1 -1.118 3.377 -0.117 0.00 0.00 +0.003 A ATOM 15 C LIG 1 0.088 2.717 0.046 0.00 0.00 +0.010 A ENDROOT BRANCH 1 21 ATOM 16 C LIG 1 5.366 -1.090 0.869 0.00 0.00 +0.047 C ATOM 17 C LIG 1 4.005 -0.495 0.679 0.00 0.00 -0.015 A ATOM 18 C LIG 1 3.660 0.104 -0.534 0.00 0.00 +0.127 A ATOM 19 F LIG 1 4.543 0.121 -1.543 0.00 0.00 -0.205 F ATOM 20 C LIG 1 2.411 0.688 -0.728 0.00 0.00 +0.047 A ATOM 21 C LIG 1 1.466 0.694 0.306 0.00 0.00 -0.013 A ATOM 22 C LIG 1 1.815 0.106 1.533 0.00 0.00 +0.009 A ATOM 23 C LIG 1 3.072 -0.480 1.720 0.00 0.00 +0.007 A ENDBRANCH 1 21 TORSDOF 1