REMARK Name = BDB057953 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.363 -0.171 -0.356 0.00 0.00 +0.037 A ATOM 2 C LIG 1 -1.540 0.535 -0.633 0.00 0.00 +0.023 A ATOM 3 C LIG 1 -2.442 0.066 -1.604 0.00 0.00 +0.028 A ATOM 4 C LIG 1 -2.126 -1.112 -2.302 0.00 0.00 +0.010 A ATOM 5 C LIG 1 -0.962 -1.826 -2.011 0.00 0.00 +0.001 A ATOM 6 C LIG 1 -0.085 -1.364 -1.031 0.00 0.00 +0.013 A ENDROOT BRANCH 1 10 ATOM 7 C LIG 1 2.360 -0.420 2.930 0.00 0.00 +0.030 C ATOM 8 C LIG 1 2.813 0.377 1.695 0.00 0.00 +0.093 C ATOM 9 N LIG 1 1.936 0.184 0.509 0.00 0.00 -0.286 N ATOM 10 C LIG 1 0.549 0.340 0.704 0.00 0.00 +0.247 C ATOM 11 O LIG 1 0.050 0.855 1.699 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 2.412 0.802 -0.746 0.00 0.00 +0.184 C ATOM 13 C LIG 1 3.879 0.712 -0.911 0.00 0.00 +0.151 A ATOM 14 N LIG 1 4.598 0.976 -1.980 0.00 0.00 -0.133 NA ATOM 15 N LIG 1 5.921 0.783 -1.657 0.00 0.00 -0.128 NA ATOM 16 C LIG 1 5.989 0.402 -0.394 0.00 0.00 +0.203 A ATOM 17 N LIG 1 4.717 0.359 0.103 0.00 0.00 -0.307 N ATOM 18 C LIG 1 4.264 -0.064 1.403 0.00 0.00 +0.147 C BRANCH 16 19 ATOM 19 C LIG 1 7.195 0.056 0.404 0.00 0.00 +0.304 C ATOM 20 F LIG 1 7.320 0.906 1.464 0.00 0.00 -0.197 F ATOM 21 F LIG 1 7.053 -1.186 0.955 0.00 0.00 -0.197 F ATOM 22 C LIG 1 8.482 0.084 -0.392 0.00 0.00 +0.094 C ENDBRANCH 16 19 ENDBRANCH 1 10 BRANCH 3 23 ATOM 23 C LIG 1 -3.715 0.845 -1.925 0.00 0.00 +0.318 C ATOM 24 F LIG 1 -3.386 2.030 -2.533 0.00 0.00 -0.193 F ATOM 25 F LIG 1 -4.481 0.202 -2.867 0.00 0.00 -0.193 F BRANCH 23 26 ATOM 26 C LIG 1 -4.552 1.104 -0.650 0.00 0.00 +0.142 A ATOM 27 C LIG 1 -5.378 0.007 -0.070 0.00 0.00 +0.016 A ATOM 28 C LIG 1 -6.081 0.292 1.102 0.00 0.00 +0.050 A ATOM 29 C LIG 1 -6.876 -0.683 1.719 0.00 0.00 +0.014 A ATOM 30 C LIG 1 -6.971 -1.955 1.160 0.00 0.00 +0.001 A ATOM 31 C LIG 1 -6.277 -2.249 -0.011 0.00 0.00 +0.001 A ATOM 32 C LIG 1 -5.988 1.635 1.695 0.00 0.00 +0.272 A ATOM 33 O LIG 1 -6.596 1.928 2.719 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 -5.186 2.530 1.034 0.00 0.00 -0.242 N ATOM 35 H LIG 1 -5.105 3.462 1.430 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 -5.483 -1.274 -0.626 0.00 0.00 +0.011 A ATOM 37 N LIG 1 -4.479 2.286 -0.100 0.00 0.00 -0.169 NA ENDBRANCH 23 26 ENDBRANCH 3 23 TORSDOF 4