REMARK  Name = BDB055690
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.014  -1.053  -0.571  0.00  0.00    +0.043 C 
ATOM      2  C   LIG    1       -0.884  -1.776  -1.927  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -0.944  -3.170  -1.998  0.00  0.00    +0.133 A 
ATOM      4  C   LIG    1       -0.848  -3.842  -3.224  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -0.678  -3.133  -4.408  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -0.602  -1.748  -4.365  0.00  0.00    +0.001 A 
ATOM      7  O   LIG    1       -1.089  -3.991  -0.914  0.00  0.00    -0.455 OA
ATOM      8  C   LIG    1       -1.033  -3.444   0.338  0.00  0.00    +0.133 A 
ATOM      9  C   LIG    1       -1.034  -4.377   1.383  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -1.000  -3.956   2.708  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -0.977  -2.597   2.989  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -0.982  -1.667   1.945  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -0.703  -1.080  -3.141  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1       -0.996  -2.072   0.593  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1  15
ATOM     15  C   LIG    1       -2.398  -0.322  -0.491  0.00  0.00    +0.018 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.619   0.869  -1.436  0.00  0.00    +0.003 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.758   1.801  -1.000  0.00  0.00    +0.028 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.574   2.426   0.385  0.00  0.00    +0.159 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -1.899   4.086   0.114  0.00  0.00    +0.193 C 
ATOM     20  O   LIG    1       -2.216   2.794   0.619  0.00  0.00    -0.383 OA
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
BRANCH   1  21
ATOM     21  C   LIG    1        0.223  -0.089  -0.415  0.00  0.00    +0.120 C 
BRANCH  21  22
ATOM     22  N   LIG    1        0.137   0.925   0.635  0.00  0.00    -0.314 N 
ATOM     23  H   LIG    1       -0.700   1.511   0.678  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        1.140   1.420   1.423  0.00  0.00    +0.217 C 
ATOM     25  O   LIG    1        0.898   2.391   2.140  0.00  0.00    -0.275 OA
BRANCH  24  26
ATOM     26  C   LIG    1        2.514   0.758   1.384  0.00  0.00    +0.089 C 
ATOM     27  C   LIG    1        3.336   1.177   2.614  0.00  0.00    +0.093 C 
ATOM     28  N   LIG    1        4.720   0.717   2.488  0.00  0.00    -0.315 NA
ATOM     29  H   LIG    1        5.229   0.907   3.350  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1        5.413   1.339   1.358  0.00  0.00    +0.081 C 
ATOM     31  C   LIG    1        4.486   1.942   0.299  0.00  0.00    +0.016 C 
ATOM     32  C   LIG    1        3.251   1.076   0.068  0.00  0.00    +0.015 C 
ENDBRANCH  24  26
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 8