REMARK  Name = BDB012654
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.793   0.198   0.119  0.00  0.00    -0.296 N 
ATOM      2  H   LIG    1        0.933   1.197   0.289  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -3.049  -2.599  -0.192  0.00  0.00    +0.173 C 
ATOM      4  N   LIG    1       -2.255  -1.406  -0.018  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -2.729  -0.144   0.228  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1       -1.589   0.651   0.314  0.00  0.00    +0.042 A 
ATOM      7  C   LIG    1       -1.742   2.031   0.566  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -3.030   2.559   0.722  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -4.152   1.737   0.630  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -0.490  -0.240   0.103  0.00  0.00    +0.153 A 
ATOM     11  C   LIG    1       -4.025   0.367   0.381  0.00  0.00    +0.028 A 
ATOM     12  N   LIG    1       -0.917  -1.488  -0.098  0.00  0.00    -0.155 NA
ENDBRANCH   1  10
BRANCH   1  13
ATOM     13  C   LIG    1        2.024  -0.476  -0.060  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1        3.257   0.210   0.003  0.00  0.00    +0.083 A 
ATOM     15  C   LIG    1        4.468  -0.473  -0.177  0.00  0.00    +0.036 A 
ATOM     16  C   LIG    1        4.426  -1.831  -0.416  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1        3.282  -2.533  -0.485  0.00  0.00    -0.261 NA
ATOM     18  C   LIG    1        2.121  -1.846  -0.307  0.00  0.00    +0.134 A 
BRANCH  14  19
ATOM     19  C   LIG    1        3.279   1.674   0.261  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1        2.298   2.379   0.433  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1        4.519   2.195   0.294  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1        4.379   3.149   0.470  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  14  19
ENDBRANCH   1  13
TORSDOF 4