REMARK  Name = BDB012967
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.148  -0.402   1.257  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        0.037   0.195   0.680  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -1.283  -0.022   1.258  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.244   0.716   0.318  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.541   0.587  -1.031  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.071   0.743  -0.665  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        1.030  -1.147   2.227  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        4.534  -0.174  -0.075  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        4.100   1.071  -0.312  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        2.860   1.083   0.200  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        2.353   1.961   0.204  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        2.435  -0.126   0.672  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        3.535  -0.953   0.553  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        6.994   0.240   0.234  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        5.921  -0.604  -0.459  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        6.119  -0.589  -1.976  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1       -3.585   0.177   0.303  0.00  0.00    -0.309 N 
ATOM     18  H   LIG    1       -3.827  -0.594  -0.317  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -4.471   0.404   1.341  0.00  0.00    +0.242 C 
ATOM     20  O   LIG    1       -4.211   1.191   2.252  0.00  0.00    -0.273 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -5.785  -0.442   1.228  0.00  0.00    +0.206 C 
ATOM     22  O   LIG    1       -5.866  -1.270   0.017  0.00  0.00    -0.367 OA
ATOM     23  C   LIG    1       -7.213  -0.797  -0.226  0.00  0.00    +0.164 C 
ATOM     24  C   LIG    1       -7.072   0.292   0.830  0.00  0.00    +0.069 C 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4