REMARK  Name = BDB023954
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.088   5.008  -2.377  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -2.928   4.544  -1.534  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.046   3.309  -0.908  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.925   2.928  -0.025  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -1.978   1.474   0.284  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -1.042   0.630   0.934  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -1.495  -0.633   0.984  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.695  -0.603   0.369  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -3.030   0.648  -0.051  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.242   1.088  -0.781  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.342   2.627  -0.695  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -1.922   5.247  -1.427  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.254   0.994   1.501  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.468   0.418   1.031  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        2.687   0.825   1.604  0.00  0.00    -0.013 A 
ATOM     16  C   LIG    1        3.889   0.269   1.137  0.00  0.00    +0.052 A 
ATOM     17  C   LIG    1        3.892  -0.669   0.105  0.00  0.00    +0.122 A 
ATOM     18  N   LIG    1        2.733  -1.078  -0.444  0.00  0.00    -0.240 NA
ATOM     19  C   LIG    1        2.686   1.780   2.635  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        1.494   2.336   3.096  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        1.573  -0.542   0.016  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        0.283   1.946   2.531  0.00  0.00    +0.011 A 
BRANCH  17  23
ATOM     23  N   LIG    1        5.068  -1.228  -0.354  0.00  0.00    -0.314 N 
ATOM     24  C   LIG    1        6.316  -0.465  -0.403  0.00  0.00    +0.124 C 
ATOM     25  C   LIG    1        7.038  -0.993  -1.649  0.00  0.00    +0.110 C 
ATOM     26  C   LIG    1        6.460  -2.394  -1.822  0.00  0.00    +0.039 C 
ATOM     27  C   LIG    1        4.995  -2.187  -1.452  0.00  0.00    +0.108 C 
BRANCH  25  28
ATOM     28  C   LIG    1        8.490  -0.993  -1.480  0.00  0.00    +0.067 C 
ATOM     29  N   LIG    1        9.643  -0.982  -1.347  0.00  0.00    -0.196 NA
ENDBRANCH  25  28
ENDBRANCH  17  23
ENDBRANCH   6  13
BRANCH   8  30
ATOM     30  C   LIG    1       -3.443  -1.841   0.199  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -2.778  -2.765  -0.832  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -3.124  -4.225  -0.573  0.00  0.00    +0.162 C 
ATOM     33  O   LIG    1       -4.439  -4.316  -0.035  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -4.514  -3.822   1.304  0.00  0.00    +0.162 C 
ATOM     35  C   LIG    1       -3.670  -2.570   1.524  0.00  0.00    +0.055 C 
ENDBRANCH   8  30
TORSDOF 4