REMARK  Name = BDB016252
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.220  -2.712   0.453  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.864  -1.323   0.399  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.893  -0.396  -0.160  0.00  0.00    -0.338 N 
ATOM      4  H   LIG    1       -0.933  -0.642   0.077  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.099   0.993  -0.023  0.00  0.00    +0.064 A 
ATOM      6  C   LIG    1       -3.362   1.618   0.100  0.00  0.00    +0.056 A 
ATOM      7  C   LIG    1       -3.433   3.023   0.226  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.297   3.825   0.179  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -1.058   3.235  -0.003  0.00  0.00    +0.019 A 
ATOM     10  N   LIG    1       -4.628   0.994   0.118  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.426   1.593   0.292  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -5.038  -0.278  -0.108  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.247  -0.522  -0.027  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.954   1.843  -0.114  0.00  0.00    +0.048 A 
ATOM     15  C   LIG    1       -4.077  -1.350  -0.504  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.369   1.308  -0.302  0.00  0.00    -0.064 C 
ATOM     17  C   LIG    1        1.470   0.853  -0.456  0.00  0.00    -0.094 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.816   0.284  -0.652  0.00  0.00    +0.064 C 
ATOM     19  C   LIG    1        2.733  -1.241  -0.847  0.00  0.00    +0.016 C 
ATOM     20  C   LIG    1        4.001  -1.984  -0.415  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1        5.245  -1.120  -0.563  0.00  0.00    +0.000 C 
ATOM     22  C   LIG    1        5.164   0.144   0.294  0.00  0.00    +0.001 C 
ATOM     23  C   LIG    1        3.734   0.642   0.519  0.00  0.00    +0.016 C 
ENDBRANCH  17  18
ENDBRANCH  14  16
TORSDOF 2