REMARK  Name = BDB015942
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.006   1.710  -1.542  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.268   0.911  -0.492  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.088   1.376   0.475  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1       -1.673   2.638   0.389  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -1.311   3.382  -0.720  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1       -0.482   2.951  -1.694  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        2.315  -0.633  -3.482  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        1.452  -0.115  -2.502  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        0.912   1.186  -2.586  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        1.273   1.959  -3.704  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        2.130   1.462  -4.688  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        2.648   0.172  -4.576  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        4.116  -5.149  -4.502  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        3.642  -3.972  -3.816  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        3.593  -3.964  -2.472  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        3.110  -2.752  -2.187  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        2.851  -1.977  -3.342  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        3.208  -2.809  -4.384  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -2.612   3.192   1.358  0.00  0.00    +0.097 A 
ATOM     20  N   LIG    1       -2.632   4.509   1.632  0.00  0.00    -0.171 NA
ATOM     21  N   LIG    1       -3.609   4.653   2.544  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -3.901   5.965   3.069  0.00  0.00    +0.172 C 
ATOM     23  C   LIG    1       -4.231   3.486   2.864  0.00  0.00    +0.108 A 
ATOM     24  C   LIG    1       -3.615   2.518   2.108  0.00  0.00    +0.049 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -1.351   0.536   1.581  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -1.182   1.071   2.430  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -0.648  -0.746   1.574  0.00  0.00    +0.107 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.055  -1.576   2.791  0.00  0.00    +0.021 C 
ATOM     29  C   LIG    1       -0.496  -1.053   4.106  0.00  0.00    +0.086 C 
ATOM     30  N   LIG    1       -0.620  -2.215   4.983  0.00  0.00    -0.316 NA
ATOM     31  H   LIG    1       -0.041  -2.112   5.815  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1       -0.189  -3.362   4.185  0.00  0.00    +0.081 C 
ATOM     33  C   LIG    1       -0.520  -3.008   2.739  0.00  0.00    +0.021 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6