REMARK  Name = BDB015864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.088   1.407   0.644  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.513   0.365   0.037  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.856   0.382  -0.090  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -2.618   1.462   0.358  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.902   2.478   0.965  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1       -0.564   2.477   1.129  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.712   0.218   0.437  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.314   0.277   0.306  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.558   1.367   0.787  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.265   2.412   1.410  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        3.655   2.372   1.547  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.373   1.281   1.062  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        7.128  -3.333  -0.193  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.965  -2.492  -0.337  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        5.071  -2.761  -1.304  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        4.147  -1.809  -1.146  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.444  -0.926  -0.081  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.636  -1.406   0.422  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -4.057   1.563   0.201  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -4.926   2.060   1.152  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -6.176   1.978   0.609  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -7.420   2.369   1.224  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -6.185   1.469  -0.635  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.897   1.216  -0.882  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.470  -0.705  -0.735  0.00  0.00    -0.318 N 
ATOM     26  H   LIG    1       -3.287  -1.024  -0.210  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.581  -1.828  -1.065  0.00  0.00    +0.223 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.400  -3.035  -1.497  0.00  0.00    +0.322 C 
ATOM     29  O   LIG    1       -3.582  -3.235  -1.261  0.00  0.00    -0.249 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -1.673  -3.958  -2.161  0.00  0.00    -0.480 OA
ATOM     31  H   LIG    1       -2.317  -4.667  -2.367  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 7