REMARK Name = BDB058100 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.983 -0.005 -1.074 0.00 0.00 +0.048 C ATOM 2 C LIG 1 -4.504 -0.269 -1.116 0.00 0.00 +0.004 C ATOM 3 C LIG 1 -3.579 0.086 -0.187 0.00 0.00 -0.000 C ATOM 4 C LIG 1 -3.980 0.828 1.040 0.00 0.00 +0.025 A ATOM 5 C LIG 1 -3.713 0.342 2.340 0.00 0.00 +0.131 A ATOM 6 C LIG 1 -4.069 1.117 3.452 0.00 0.00 +0.084 A ATOM 7 C LIG 1 -4.674 2.355 3.282 0.00 0.00 +0.127 A ATOM 8 C LIG 1 -4.923 2.858 2.014 0.00 0.00 +0.039 A ATOM 9 F LIG 1 -5.009 3.081 4.356 0.00 0.00 -0.205 F ATOM 10 O LIG 1 -3.082 -0.825 2.694 0.00 0.00 -0.487 OA ATOM 11 C LIG 1 -2.853 -1.838 1.711 0.00 0.00 +0.265 C ATOM 12 C LIG 1 -1.832 -1.413 0.684 0.00 0.00 -0.002 A ATOM 13 C LIG 1 -0.531 -1.933 0.677 0.00 0.00 +0.011 A ATOM 14 C LIG 1 0.415 -1.486 -0.260 0.00 0.00 -0.041 A ATOM 15 C LIG 1 0.032 -0.516 -1.199 0.00 0.00 +0.004 A ATOM 16 C LIG 1 -1.259 0.014 -1.192 0.00 0.00 +0.009 A ATOM 17 C LIG 1 -4.567 2.102 0.897 0.00 0.00 +0.015 A ATOM 18 C LIG 1 -2.196 -0.446 -0.264 0.00 0.00 -0.010 A ENDROOT BRANCH 2 19 ATOM 19 C LIG 1 -4.119 -1.160 -2.230 0.00 0.00 +0.179 A ATOM 20 N LIG 1 -3.678 -0.612 -3.359 0.00 0.00 -0.272 N ATOM 21 H LIG 1 -3.532 0.355 -3.584 0.00 0.00 +0.174 HD ATOM 22 C LIG 1 -3.382 -1.629 -4.182 0.00 0.00 +0.440 A ATOM 23 O LIG 1 -2.923 -1.524 -5.308 0.00 0.00 -0.221 OA ATOM 24 O LIG 1 -3.683 -2.808 -3.547 0.00 0.00 -0.295 OA ATOM 25 N LIG 1 -4.171 -2.446 -2.251 0.00 0.00 -0.055 NA ENDBRANCH 2 19 BRANCH 14 26 ATOM 26 C LIG 1 1.812 -2.071 -0.264 0.00 0.00 +0.090 C BRANCH 26 27 ATOM 27 C LIG 1 2.899 -1.050 -0.285 0.00 0.00 +0.051 A ATOM 28 N LIG 1 3.209 -0.212 0.771 0.00 0.00 -0.303 N ATOM 29 C LIG 1 4.275 0.588 0.342 0.00 0.00 +0.145 A ATOM 30 C LIG 1 4.769 1.542 1.268 0.00 0.00 +0.040 A ATOM 31 C LIG 1 5.835 2.561 1.178 0.00 0.00 +0.083 C ATOM 32 C LIG 1 5.913 3.030 2.634 0.00 0.00 +0.234 C ATOM 33 O LIG 1 4.734 2.577 3.340 0.00 0.00 -0.491 OA ATOM 34 C LIG 1 4.218 1.626 2.483 0.00 0.00 +0.129 A ATOM 35 C LIG 1 3.118 0.803 2.919 0.00 0.00 +0.064 A ATOM 36 N LIG 1 4.638 0.300 -0.887 0.00 0.00 -0.232 NA ATOM 37 C LIG 1 2.637 -0.105 2.048 0.00 0.00 +0.096 A ATOM 38 C LIG 1 3.803 -0.711 -1.272 0.00 0.00 +0.067 A BRANCH 38 39 ATOM 39 C LIG 1 3.878 -1.371 -2.672 0.00 0.00 +0.040 C ATOM 40 C LIG 1 4.458 -2.756 -2.797 0.00 0.00 +0.010 C ATOM 41 C LIG 1 5.228 -1.575 -3.310 0.00 0.00 +0.010 C ENDBRANCH 38 39 ENDBRANCH 26 27 ENDBRANCH 14 26 TORSDOF 4