REMARK  Name = BDB012655
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.391  -0.397  -0.433  0.00  0.00    -0.297 N 
ATOM      2  H   LIG    1        0.416  -0.093  -1.417  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1       -0.411  -2.469   1.614  0.00  0.00    +0.174 C 
ATOM      4  N   LIG    1       -1.202  -1.373   1.102  0.00  0.00    -0.252 N 
ATOM      5  C   LIG    1       -0.840  -0.448   0.145  0.00  0.00    +0.129 A 
ATOM      6  C   LIG    1       -1.997   0.246  -0.104  0.00  0.00    +0.042 A 
ATOM      7  C   LIG    1       -2.998  -0.255   0.807  0.00  0.00    +0.095 A 
ATOM      8  C   LIG    1       -4.296   0.283   0.815  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -4.492   1.317  -0.127  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -3.469   1.784  -1.011  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -2.158   1.266  -1.039  0.00  0.00    +0.013 A 
ATOM     12  N   LIG    1       -2.470  -1.237   1.555  0.00  0.00    -0.170 NA
ENDBRANCH   1   5
BRANCH   1  13
ATOM     13  C   LIG    1        1.574   0.063   0.216  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1        2.796   0.165  -0.480  0.00  0.00    +0.083 A 
ATOM     15  C   LIG    1        3.975   0.514   0.191  0.00  0.00    +0.036 A 
ATOM     16  C   LIG    1        3.910   0.750   1.549  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1        2.772   0.667   2.260  0.00  0.00    -0.261 NA
ATOM     18  C   LIG    1        1.644   0.330   1.585  0.00  0.00    +0.134 A 
BRANCH  14  19
ATOM     19  C   LIG    1        2.829  -0.049  -1.947  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1        1.859  -0.038  -2.685  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1        4.069  -0.265  -2.421  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1        3.942  -0.402  -3.384  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  14  19
ENDBRANCH   1  13
TORSDOF 4