REMARK  Name = BDB012940
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.674  -0.921  -0.502  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.367  -0.044  -0.768  0.00  0.00    -0.306 N 
ATOM      3  H   LIG    1       -0.169   0.947  -0.733  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.469  -2.102  -0.232  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.744  -0.476  -0.625  0.00  0.00    +0.092 C 
ATOM      6  C   LIG    1       -2.762   0.475  -1.258  0.00  0.00    +0.130 C 
ATOM      7  N   LIG    1       -3.983   0.287  -0.489  0.00  0.00    -0.294 N 
ATOM      8  C   LIG    1       -5.142   0.939  -0.865  0.00  0.00    +0.264 C 
ATOM      9  O   LIG    1       -5.120   1.737  -1.804  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1       -3.722  -0.497   0.708  0.00  0.00    +0.110 C 
ATOM     11  C   LIG    1       -2.205  -0.522   0.832  0.00  0.00    +0.043 C 
BRANCH   8  12
ATOM     12  C   LIG    1       -6.373   0.701  -0.151  0.00  0.00    +0.120 A 
ATOM     13  N   LIG    1       -7.441   1.549  -0.323  0.00  0.00    -0.273 N 
ATOM     14  H   LIG    1       -7.473   2.366  -0.925  0.00  0.00    +0.189 HD
ATOM     15  N   LIG    1       -8.525   1.229   0.403  0.00  0.00    -0.182 NA
ATOM     16  C   LIG    1       -8.162   0.109   1.025  0.00  0.00    +0.135 A 
ATOM     17  C   LIG    1       -6.842  -0.271   0.713  0.00  0.00    +0.054 A 
ENDBRANCH   8  12
ENDBRANCH   2   5
BRANCH   1  20
ATOM     18  N   LIG    1        4.143  -0.131  -0.220  0.00  0.00    -0.236 N 
ATOM     19  N   LIG    1        3.081  -0.936   0.006  0.00  0.00    -0.162 NA
ATOM     20  C   LIG    1        2.023  -0.319  -0.546  0.00  0.00    +0.147 A 
ATOM     21  C   LIG    1        2.420   0.912  -1.132  0.00  0.00    +0.054 A 
ATOM     22  C   LIG    1        3.771   1.004  -0.905  0.00  0.00    +0.115 A 
BRANCH  18  27
ATOM     23  C   LIG    1        8.989  -0.169   0.769  0.00  0.00    +0.172 C 
ATOM     24  N   LIG    1        7.585  -0.487   0.662  0.00  0.00    -0.272 N 
ATOM     25  N   LIG    1        7.126  -1.635   1.193  0.00  0.00    -0.178 NA
ATOM     26  C   LIG    1        5.818  -1.614   0.916  0.00  0.00    +0.162 A 
ATOM     27  C   LIG    1        5.448  -0.453   0.216  0.00  0.00    +0.103 A 
ATOM     28  C   LIG    1        6.614   0.265   0.062  0.00  0.00    +0.135 A 
ENDBRANCH  18  27
ENDBRANCH   1  20
TORSDOF 4