REMARK  Name = BDB039290
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.213   2.233  -0.058  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.619   1.105  -0.914  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -1.115  -0.136  -0.140  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1       -2.229   0.210   0.766  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1       -2.070   1.507   1.473  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -0.632   2.067   1.343  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.546  -0.142   0.463  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -3.985  -0.593  -0.788  0.00  0.00    +0.134 A 
ATOM      9  N   LIG    1       -5.258  -0.948  -1.108  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1       -6.172  -0.858  -0.106  0.00  0.00    +0.125 A 
ATOM     11  C   LIG    1       -5.864  -0.431   1.175  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -4.542  -0.076   1.449  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -7.579  -1.247  -0.449  0.00  0.00    +0.262 C 
ATOM     14  N   LIG    1       -7.741  -1.696  -1.742  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1       -6.922  -1.625  -2.341  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       -9.031  -1.992  -2.300  0.00  0.00    +0.128 C 
ATOM     17  O   LIG    1       -8.489  -1.154   0.367  0.00  0.00    -0.269 OA
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1        1.159   2.708  -0.240  0.00  0.00    +0.119 C 
BRANCH  18  28
ATOM     19  C   LIG    1        6.099  -1.410   0.598  0.00  0.00    +0.259 C 
ATOM     20  C   LIG    1        5.427  -1.755  -0.742  0.00  0.00    +0.258 C 
ATOM     21  O   LIG    1        5.809  -2.660  -1.481  0.00  0.00    -0.271 OA
ATOM     22  N   LIG    1        4.402  -0.929  -1.116  0.00  0.00    -0.280 N 
ATOM     23  H   LIG    1        4.003  -1.081  -2.031  0.00  0.00    +0.155 HD
ATOM     24  C   LIG    1        3.866   0.009  -0.236  0.00  0.00    +0.076 A 
ATOM     25  C   LIG    1        4.322   0.068   1.080  0.00  0.00    +0.143 A 
ATOM     26  C   LIG    1        3.756   0.977   1.969  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1        2.742   1.835   1.537  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        2.266   1.780   0.217  0.00  0.00    -0.031 A 
ATOM     29  C   LIG    1        2.845   0.857  -0.669  0.00  0.00    +0.032 A 
ATOM     30  O   LIG    1        5.285  -0.763   1.583  0.00  0.00    -0.478 OA
BRANCH  19  32
ATOM     31  C   LIG    1        8.475  -1.255  -0.345  0.00  0.00    +0.008 C 
ATOM     32  C   LIG    1        7.346  -0.536   0.379  0.00  0.00    +0.051 C 
ENDBRANCH  19  32
ENDBRANCH  18  28
ENDBRANCH   1  18
TORSDOF 5