REMARK  Name = BDB023923
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.731  -2.826   4.377  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.664  -3.024   3.332  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.590  -2.087   2.308  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.586  -2.363   1.261  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -2.346  -1.147   0.438  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -1.367  -0.877  -0.554  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -1.509   0.369  -1.035  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.549   0.894  -0.355  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -3.091   0.009   0.526  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.221   0.208   1.464  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.701  -1.173   1.962  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.894  -3.982   3.408  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -0.319  -1.766  -1.050  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.060  -1.426  -0.957  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        2.024  -2.337  -1.442  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        3.387  -2.019  -1.349  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        3.775  -0.811  -0.780  0.00  0.00    +0.075 A 
ATOM     18  N   LIG    1        2.882   0.081  -0.302  0.00  0.00    -0.254 NA
ATOM     19  C   LIG    1        1.609  -3.552  -2.010  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        0.257  -3.875  -2.104  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        1.568  -0.240  -0.403  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1       -0.703  -2.987  -1.627  0.00  0.00    +0.011 A 
BRANCH  17  23
ATOM     23  C   LIG    1        5.182  -0.460  -0.658  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1        5.705   0.827  -0.626  0.00  0.00    +0.045 A 
ATOM     25  C   LIG    1        5.040   2.155  -0.713  0.00  0.00    +0.066 C 
ATOM     26  N   LIG    1        7.062   0.671  -0.478  0.00  0.00    -0.271 N 
ATOM     27  C   LIG    1        8.058   1.711  -0.356  0.00  0.00    +0.172 C 
ATOM     28  N   LIG    1        7.459  -0.615  -0.460  0.00  0.00    -0.179 NA
ATOM     29  C   LIG    1        6.316  -1.296  -0.553  0.00  0.00    +0.144 A 
ENDBRANCH  17  23
ENDBRANCH   6  13
BRANCH   8  30
ATOM     30  C   LIG    1       -2.932   2.283  -0.592  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -3.130   2.589  -2.085  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -1.929   3.343  -2.632  0.00  0.00    +0.162 C 
ATOM     33  O   LIG    1       -1.759   4.604  -1.981  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -2.018   4.613  -0.578  0.00  0.00    +0.162 C 
ATOM     35  C   LIG    1       -1.930   3.240   0.067  0.00  0.00    +0.055 C 
ENDBRANCH   8  30
TORSDOF 3