REMARK  Name = BDB031614
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.046   0.456   0.340  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1        0.916   1.384  -0.048  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -0.112  -0.275   0.523  0.00  0.00    +0.261 C 
ATOM      4  O   LIG    1       -0.159  -1.192   1.337  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1        5.533   0.164  -1.206  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        4.617   0.123  -0.389  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1        4.351   1.195   0.421  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1        4.920   2.009   0.225  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1        3.133   1.468   0.989  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1        2.774   2.632   1.164  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1        2.192   0.282   1.227  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1        2.928  -1.044   1.032  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1        3.675  -1.052  -0.291  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1       -1.228   0.149  -0.302  0.00  0.00    +0.109 A 
ATOM     15  N   LIG    1       -2.561  -0.192  -0.073  0.00  0.00    -0.312 N 
ATOM     16  C   LIG    1       -3.343   0.387  -1.074  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1       -4.752   0.173  -1.034  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1       -5.287  -0.567  -0.046  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1       -4.458  -1.155   0.989  0.00  0.00    +0.018 A 
ATOM     20  C   LIG    1       -2.524   1.079  -1.933  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -3.130  -0.957   0.954  0.00  0.00    +0.092 A 
ATOM     22  C   LIG    1       -1.205   0.928  -1.456  0.00  0.00    +0.033 A 
ENDBRANCH   3  14
TORSDOF 2