REMARK  Name = BDB042659
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.400   0.095  -0.305  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        3.155   1.527  -0.618  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1        1.946   1.754  -1.572  0.00  0.00    +0.074 C 
ATOM      4  N   LIG    1        0.705   1.075  -1.145  0.00  0.00    -0.293 NA
ATOM      5  C   LIG    1        1.093  -0.343  -1.277  0.00  0.00    +0.074 C 
ATOM      6  C   LIG    1        1.618  -0.347  -2.720  0.00  0.00    +0.022 C 
ATOM      7  C   LIG    1        2.188   1.058  -2.917  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1        2.210  -0.794  -0.293  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        6.688  -0.810   2.149  0.00  0.00    +0.140 A 
ATOM     10  N   LIG    1        6.599   0.427   1.618  0.00  0.00    -0.243 NA
ATOM     11  C   LIG    1        5.519   0.675   0.829  0.00  0.00    +0.135 A 
ATOM     12  C   LIG    1        4.481  -0.222   0.529  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1        4.646  -1.491   1.103  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1        5.743  -1.794   1.918  0.00  0.00    +0.041 A 
BRANCH   9  16
ATOM     15  N   LIG    1        8.742  -1.316   3.658  0.00  0.00    -0.189 NA
ATOM     16  C   LIG    1        7.832  -1.066   2.979  0.00  0.00    +0.119 C 
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  C   LIG    1        0.218   1.488   0.169  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.135   0.861   0.534  0.00  0.00    +0.021 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.240   1.195  -0.476  0.00  0.00    +0.054 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.564   0.596  -0.073  0.00  0.00    +0.021 A 
ATOM     21  N   LIG    1       -4.242   1.200   0.964  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1       -3.846   2.013   1.423  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1       -5.465   0.790   1.451  0.00  0.00    +0.258 A 
ATOM     24  O   LIG    1       -6.021   1.365   2.379  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1       -6.071  -0.384   0.793  0.00  0.00    +0.065 A 
ATOM     26  C   LIG    1       -5.390  -0.990  -0.256  0.00  0.00    +0.078 A 
ATOM     27  N   LIG    1       -5.861  -2.072  -0.921  0.00  0.00    -0.255 NA
ATOM     28  C   LIG    1       -7.059  -2.556  -0.517  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1       -7.807  -2.014   0.520  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -7.302  -0.903   1.190  0.00  0.00    +0.017 A 
ATOM     31  C   LIG    1       -4.099  -0.467  -0.694  0.00  0.00    +0.049 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 6