REMARK  Name = BDB020486
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.643  -0.266  -1.001  0.00  0.00    +0.094 A 
ATOM      2  C   LIG    1       -1.540  -1.305  -0.907  0.00  0.00    +0.064 A 
ATOM      3  C   LIG    1       -1.541  -2.721  -1.317  0.00  0.00    +0.163 C 
ATOM      4  N   LIG    1       -2.896  -3.098  -1.699  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -4.003  -2.683  -0.961  0.00  0.00    +0.238 C 
ATOM      6  C   LIG    1       -3.798  -1.566   0.066  0.00  0.00    +0.171 C 
ATOM      7  C   LIG    1       -3.721  -2.169   1.465  0.00  0.00    +0.041 C 
ATOM      8  O   LIG    1       -5.114  -3.203  -1.089  0.00  0.00    -0.273 OA
ATOM      9  C   LIG    1       -3.032  -4.252  -2.568  0.00  0.00    +0.132 C 
ATOM     10  N   LIG    1       -2.614  -0.779  -0.238  0.00  0.00    -0.318 N 
ATOM     11  C   LIG    1       -2.348   0.537   0.049  0.00  0.00    +0.115 A 
ATOM     12  N   LIG    1       -1.147   0.857  -0.396  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  21
ATOM     13  C   LIG    1        4.180   0.423   0.597  0.00  0.00    +0.139 A 
ATOM     14  N   LIG    1        2.992   0.496   1.240  0.00  0.00    -0.237 NA
ATOM     15  C   LIG    1        1.871   0.272   0.509  0.00  0.00    +0.122 A 
ATOM     16  C   LIG    1        1.848  -0.050  -0.856  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        3.104  -0.119  -1.495  0.00  0.00    -0.012 A 
ATOM     18  C   LIG    1        3.170  -0.430  -2.864  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        2.011  -0.668  -3.601  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        0.768  -0.607  -2.979  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1        0.672  -0.311  -1.611  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1        4.275   0.122  -0.758  0.00  0.00    +0.055 A 
BRANCH  13  27
ATOM     23  C   LIG    1        8.877   1.056   2.252  0.00  0.00    +0.067 C 
ATOM     24  C   LIG    1        7.410   0.942   2.101  0.00  0.00    +0.056 A 
ATOM     25  N   LIG    1        6.584   1.132   3.177  0.00  0.00    -0.241 NA
ATOM     26  C   LIG    1        5.365   0.965   2.711  0.00  0.00    +0.205 A 
ATOM     27  N   LIG    1        5.351   0.665   1.368  0.00  0.00    -0.290 N 
ATOM     28  C   LIG    1        6.671   0.652   0.973  0.00  0.00    +0.117 A 
ENDBRANCH  13  27
ENDBRANCH   1  21
BRANCH  11  29
ATOM     29  C   LIG    1       -3.295   1.466   0.754  0.00  0.00    +0.060 C 
ATOM     30  C   LIG    1       -2.549   2.420   1.695  0.00  0.00    +0.039 C 
ATOM     31  C   LIG    1       -3.521   3.413   2.316  0.00  0.00    +0.160 C 
ATOM     32  O   LIG    1       -4.230   4.131   1.307  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1       -5.004   3.277   0.468  0.00  0.00    +0.160 C 
ATOM     34  C   LIG    1       -4.117   2.273  -0.256  0.00  0.00    +0.039 C 
ENDBRANCH  11  29
TORSDOF 3