REMARK  Name = BDB015422
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.744   0.521   0.545  0.00  0.00    +0.253 C 
ATOM      2  N   LIG    1        1.180  -0.694   0.939  0.00  0.00    -0.238 N 
ATOM      3  C   LIG    1       -0.131  -0.948   1.359  0.00  0.00    +0.188 C 
ATOM      4  N   LIG    1       -0.307  -2.119   1.905  0.00  0.00    -0.254 NA
ATOM      5  C   LIG    1        1.012  -2.768   1.953  0.00  0.00    +0.164 C 
ATOM      6  C   LIG    1        1.915  -1.921   1.089  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1        1.234   1.631   0.673  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        5.690   0.492  -1.108  0.00  0.00    +0.120 A 
ATOM      9  C   LIG    1        4.666  -0.233  -1.727  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        3.373  -0.233  -1.200  0.00  0.00    +0.016 A 
ATOM     11  C   LIG    1        3.107   0.487  -0.033  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        4.118   1.234   0.579  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1        5.411   1.230   0.045  0.00  0.00    +0.046 A 
BRANCH   8  15
ATOM     14  C   LIG    1        7.974   1.153  -1.167  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1        6.905   0.402  -1.729  0.00  0.00    -0.495 OA
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   3  16
ATOM     16  N   LIG    1       -1.156  -0.043   1.215  0.00  0.00    -0.301 N 
ATOM     17  C   LIG    1       -2.378  -0.217   2.019  0.00  0.00    +0.123 C 
ATOM     18  C   LIG    1       -3.430  -1.056   1.262  0.00  0.00    +0.103 C 
ATOM     19  N   LIG    1       -3.784  -0.554  -0.093  0.00  0.00    -0.296 NA
ATOM     20  C   LIG    1       -2.527  -0.308  -0.843  0.00  0.00    +0.103 C 
ATOM     21  C   LIG    1       -1.454   0.531  -0.108  0.00  0.00    +0.123 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -4.581   0.678   0.001  0.00  0.00    +0.057 C 
ATOM     23  C   LIG    1       -6.020   0.342   0.481  0.00  0.00    +0.019 C 
ATOM     24  C   LIG    1       -6.522   1.320  -0.602  0.00  0.00    +0.003 C 
ATOM     25  C   LIG    1       -5.228   0.993  -1.377  0.00  0.00    +0.019 C 
ENDBRANCH  19  22
ENDBRANCH   3  16
TORSDOF 4