REMARK  Name = BDB015995
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.554  -0.275  -0.078  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.605  -0.930  -0.281  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.761  -0.302   0.018  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -1.772   0.989   0.552  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.529   1.570   0.721  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.639   0.974   0.412  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.269  -0.992  -0.603  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        3.065  -0.342  -0.281  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.811  -0.973  -0.420  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        1.808  -2.296  -0.901  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        2.994  -2.955  -1.229  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.218  -2.305  -1.081  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        7.893   1.994   1.016  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        7.140   1.006   0.283  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        7.741   0.311  -0.698  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.773  -0.496  -1.143  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.550  -0.321  -0.454  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.832   0.665   0.470  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -2.980   1.698   0.932  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.215   3.040   0.713  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -4.460   3.296   1.212  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -5.154   4.561   1.214  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.056   2.215   1.743  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.153   1.245   1.579  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.975  -0.990  -0.191  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -3.610  -0.383  -0.700  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -2.850  -2.291  -0.834  0.00  0.00    +0.106 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.184  -2.969  -1.007  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1       -5.420  -2.250  -1.494  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -5.348  -2.741  -0.072  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6