REMARK  Name = BDB013038
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.019   0.001   0.274  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        0.987  -0.117   1.274  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        2.294  -0.017   0.865  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        3.041  -0.093   2.002  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        2.257  -0.284   3.039  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.666   0.167  -0.469  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        1.745   0.305  -1.384  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.958  -0.301   2.579  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.424   0.226  -0.985  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -3.979   1.198   3.094  0.00  0.00    +0.047 C 
ATOM     11  C   LIG    1       -3.425   0.513   1.876  0.00  0.00    -0.010 A 
ATOM     12  C   LIG    1       -4.233  -0.197   0.972  0.00  0.00    +0.124 A 
ATOM     13  N   LIG    1       -3.688  -0.858  -0.072  0.00  0.00    -0.239 NA
ATOM     14  C   LIG    1       -2.349  -0.781  -0.263  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1       -1.474  -0.056   0.535  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -2.042   0.590   1.632  0.00  0.00    +0.017 A 
BRANCH  12  17
ATOM     17  N   LIG    1       -5.625  -0.243   1.155  0.00  0.00    -0.313 N 
ATOM     18  C   LIG    1       -6.272  -1.458   0.611  0.00  0.00    +0.122 C 
ATOM     19  C   LIG    1       -6.632  -1.357  -0.892  0.00  0.00    +0.103 C 
ATOM     20  N   LIG    1       -7.355  -0.129  -1.296  0.00  0.00    -0.302 NA
ATOM     21  C   LIG    1       -8.740  -0.142  -0.835  0.00  0.00    +0.105 C 
ATOM     22  C   LIG    1       -6.611   1.040  -0.778  0.00  0.00    +0.103 C 
ATOM     23  C   LIG    1       -6.295   1.007   0.737  0.00  0.00    +0.122 C 
ENDBRANCH  12  17
ENDBRANCH   1  15
BRANCH   6  24
ATOM     24  N   LIG    1        3.994   0.229  -0.831  0.00  0.00    -0.310 N 
ATOM     25  H   LIG    1        4.033   0.589  -1.786  0.00  0.00    +0.149 HD
BRANCH  24  26
ATOM     26  C   LIG    1        4.800  -0.988  -0.787  0.00  0.00    +0.140 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.146  -0.718  -1.401  0.00  0.00    -0.024 A 
ATOM     28  C   LIG    1        7.133  -0.000  -0.733  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        7.143   0.567   0.637  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1        8.394   1.440   0.535  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1        9.238   0.933  -0.523  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1        8.370   0.231  -1.319  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1        8.684  -0.228  -2.580  0.00  0.00    +0.046 A 
ATOM     34  C   LIG    1        7.704  -0.932  -3.280  0.00  0.00    +0.004 A 
ATOM     35  C   LIG    1        6.446  -1.171  -2.699  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   6  24
TORSDOF 5