REMARK  Name = BDB003667
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.877   2.657  -0.206  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        2.505   2.384  -0.224  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1        2.042   1.082  -0.432  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1        2.965   0.050  -0.624  0.00  0.00    +0.049 A 
ATOM      5  N   LIG    1        2.502  -1.253  -0.830  0.00  0.00    -0.322 N 
ATOM      6  H   LIG    1        3.154  -2.014  -0.961  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1        1.174  -1.593  -0.847  0.00  0.00    +0.254 A 
ATOM      8  C   LIG    1        0.186  -0.491  -0.650  0.00  0.00    +0.034 A 
ATOM      9  O   LIG    1        0.818  -2.757  -1.010  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1        4.334   0.310  -0.608  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        0.614   0.770  -0.460  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        4.789   1.616  -0.399  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        5.574   4.306   0.043  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        4.192   3.971   0.007  0.00  0.00    -0.495 OA
ENDBRANCH   1  14
BRANCH   8  15
ATOM     15  C   LIG    1       -1.263  -0.874  -0.722  0.00  0.00    +0.142 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -1.623  -1.573   0.518  0.00  0.00    -0.337 N 
ATOM     17  H   LIG    1       -1.073  -2.432   0.575  0.00  0.00    +0.147 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -3.004  -1.886   0.560  0.00  0.00    +0.070 A 
ATOM     19  C   LIG    1       -4.004  -0.905   0.713  0.00  0.00    +0.141 A 
ATOM     20  C   LIG    1       -5.357  -1.246   0.625  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1       -5.735  -2.573   0.431  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -4.759  -3.559   0.310  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -3.405  -3.217   0.368  0.00  0.00    +0.026 A 
BRANCH  19  24
ATOM     24  O   LIG    1       -3.743   0.428   0.918  0.00  0.00    -0.493 OA
ATOM     25  C   LIG    1       -2.962   0.643   2.095  0.00  0.00    +0.277 C 
ENDBRANCH  19  24
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   8  15
TORSDOF 5