REMARK  Name = BDB056728
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.302  -0.954   1.073  0.00  0.00    +0.222 A 
ATOM      2  N   LIG    1        1.165  -1.075   0.344  0.00  0.00    -0.193 NA
ATOM      3  C   LIG    1        0.233  -0.169   0.697  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1        0.324   0.806   1.680  0.00  0.00    +0.109 A 
ATOM      5  N   LIG    1       -0.828   1.546   1.744  0.00  0.00    -0.227 NA
ATOM      6  C   LIG    1       -1.634   1.030   0.829  0.00  0.00    +0.149 A 
ATOM      7  C   LIG    1        1.510   0.883   2.418  0.00  0.00    +0.037 A 
ATOM      8  N   LIG    1       -1.017  -0.010   0.162  0.00  0.00    -0.313 N 
ATOM      9  C   LIG    1       -1.569  -0.812  -0.900  0.00  0.00    +0.152 C 
ATOM     10  C   LIG    1        2.516  -0.033   2.102  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1        3.284  -1.885   0.784  0.00  0.00    -0.438 OA
BRANCH  11  17
ATOM     12  C   LIG    1        8.286  -0.048  -1.200  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1        6.939  -0.499  -0.701  0.00  0.00    -0.047 A 
ATOM     14  C   LIG    1        5.746   0.063  -1.199  0.00  0.00    -0.044 A 
ATOM     15  C   LIG    1        5.764   1.134  -2.255  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1        4.512  -0.394  -0.707  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        4.462  -1.384   0.278  0.00  0.00    +0.131 A 
ATOM     18  C   LIG    1        5.640  -1.957   0.750  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        6.871  -1.512   0.269  0.00  0.00    +0.007 A 
ENDBRANCH  11  17
ENDBRANCH   1  11
BRANCH   6  20
ATOM     20  C   LIG    1       -3.016   1.515   0.525  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.891   0.391   0.606  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -5.205   0.601   0.294  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1       -5.981  -0.559   0.235  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1       -7.343  -0.480  -0.064  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1       -7.937   0.758  -0.331  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -7.164   1.916  -0.268  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -5.803   1.840   0.049  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -8.125  -1.732  -0.129  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -7.714  -2.748  -0.659  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -9.319  -1.635   0.492  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -9.437  -0.822   1.018  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 7