REMARK  Name = BDB031624
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.386  -0.251  -0.322  0.00  0.00    -0.304 N 
ATOM      2  H   LIG    1        0.159   0.163   0.432  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        0.244  -0.328  -1.548  0.00  0.00    +0.218 C 
ATOM      4  O   LIG    1       -0.084  -1.138  -2.411  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -4.481   0.777   1.840  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -3.640   0.072   1.290  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -2.765  -0.683   2.027  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -2.842  -0.554   3.028  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -1.553  -1.157   1.594  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -0.634  -1.341   2.392  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -1.350  -1.273   0.079  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -2.687  -1.174  -0.655  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -3.453   0.060  -0.207  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        1.324   0.712  -1.798  0.00  0.00    +0.132 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.314   0.860  -0.675  0.00  0.00    -0.021 A 
ATOM     16  C   LIG    1        2.415   2.049   0.041  0.00  0.00    +0.114 A 
ATOM     17  N   LIG    1        3.258   2.236   1.079  0.00  0.00    -0.263 NA
ATOM     18  C   LIG    1        4.051   1.196   1.416  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1        4.037  -0.024   0.762  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        3.155  -0.192  -0.300  0.00  0.00    +0.007 A 
ENDBRANCH  14  15
ENDBRANCH   3  14
TORSDOF 3