REMARK  Name = BDB004370
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.498  -1.723  -3.100  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        4.646  -1.334  -2.309  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1        4.967  -0.348  -1.266  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        3.956   0.047  -0.405  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1        4.194   0.974   0.601  0.00  0.00    +0.138 A 
ATOM      6  O   LIG    1        3.231   1.399   1.480  0.00  0.00    -0.455 OA
ATOM      7  C   LIG    1        1.964   0.877   1.350  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1        1.599  -0.059   0.382  0.00  0.00    +0.045 A 
ATOM      9  C   LIG    1        0.285  -0.539   0.319  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1       -0.677  -0.079   1.230  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1       -0.299   0.862   2.202  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        1.013   1.337   2.261  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        5.473   1.514   0.744  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        6.501   1.121  -0.120  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        2.624  -0.527  -0.570  0.00  0.00    +0.106 A 
ATOM     16  N   LIG    1        2.340  -1.399  -1.492  0.00  0.00    -0.170 NA
ATOM     17  C   LIG    1        6.250   0.188  -1.129  0.00  0.00    +0.014 A 
ATOM     18  N   LIG    1        3.344  -1.783  -2.335  0.00  0.00    -0.242 N 
ATOM     19  H   LIG    1        3.101  -2.464  -3.048  0.00  0.00    +0.192 HD
ENDROOT
BRANCH  10  20
ATOM     20  C   LIG    1       -2.101  -0.596   1.173  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.095   0.471   0.974  0.00  0.00    -0.296 NA
ATOM     22  C   LIG    1       -4.464  -0.009   1.226  0.00  0.00    +0.116 C 
ATOM     23  C   LIG    1       -5.033  -0.942   0.139  0.00  0.00    +0.129 C 
ATOM     24  C   LIG    1       -4.935  -0.284  -1.234  0.00  0.00    +0.034 C 
ATOM     25  C   LIG    1       -3.523   0.222  -1.503  0.00  0.00    +0.018 C 
ATOM     26  C   LIG    1       -3.017   1.103  -0.355  0.00  0.00    +0.085 C 
BRANCH  23  27
ATOM     27  O   LIG    1       -6.403  -1.239   0.400  0.00  0.00    -0.391 OA
ATOM     28  H   LIG    1       -6.449  -1.679   1.266  0.00  0.00    +0.210 HD
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 3