REMARK  Name = BDB051052
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.636  -0.400  -1.671  0.00  0.00    +0.080 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        0.993  -1.287  -2.790  0.00  0.00    -0.325 NA
ATOM      3  H   LIG    1        0.550  -0.942  -3.642  0.00  0.00    +0.119 HD
ATOM      4  H   LIG    1        0.600  -2.214  -2.634  0.00  0.00    +0.119 HD
ENDBRANCH   1   2
BRANCH   1   5
ATOM      5  C   LIG    1        1.089   1.065  -1.962  0.00  0.00    +0.132 C 
BRANCH   5   6
ATOM      6  O   LIG    1        0.771   1.916  -0.859  0.00  0.00    -0.390 OA
ATOM      7  H   LIG    1        1.593   2.094  -0.353  0.00  0.00    +0.210 HD
ENDBRANCH   5   6
BRANCH   5   8
ATOM      8  C   LIG    1        2.523   1.310  -2.486  0.00  0.00    +0.045 C 
BRANCH   8   9
ATOM      9  C   LIG    1        3.695   0.608  -1.776  0.00  0.00    +0.074 C 
ATOM     10  C   LIG    1        5.000   0.902  -2.526  0.00  0.00    +0.017 C 
BRANCH   9  13
ATOM     11  N   LIG    1        4.744   0.278   0.397  0.00  0.00    -0.315 N 
ATOM     12  H   LIG    1        4.994  -0.625   0.011  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1        3.851   1.042  -0.323  0.00  0.00    +0.216 C 
ATOM     14  O   LIG    1        3.227   1.982   0.162  0.00  0.00    -0.276 OA
BRANCH  11  15
ATOM     15  C   LIG    1        4.892   0.465   1.827  0.00  0.00    +0.104 C 
BRANCH  15  16
ATOM     16  C   LIG    1        6.157  -0.215   2.343  0.00  0.00    +0.018 C 
BRANCH  16  18
ATOM     17  C   LIG    1        6.494   1.268   4.391  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1        6.303  -0.146   3.864  0.00  0.00    -0.002 C 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   9  13
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   5
BRANCH   1  19
ATOM     19  C   LIG    1        1.134  -0.972  -0.327  0.00  0.00    +0.024 C 
BRANCH  19  20
ATOM     20  C   LIG    1        0.219  -1.926   0.486  0.00  0.00    -0.009 C 
ATOM     21  C   LIG    1       -0.888  -1.198   1.273  0.00  0.00    +0.007 C 
ATOM     22  C   LIG    1       -2.218  -1.005   0.526  0.00  0.00    -0.011 C 
ATOM     23  C   LIG    1       -2.693  -2.334  -0.073  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -1.634  -2.964  -0.972  0.00  0.00    +0.001 C 
ATOM     25  C   LIG    1       -0.307  -3.163  -0.249  0.00  0.00    +0.003 C 
BRANCH  22  26
ATOM     26  C   LIG    1       -3.260  -0.391   1.486  0.00  0.00    +0.003 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.643  -0.098   0.886  0.00  0.00    +0.001 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.597   0.882  -0.294  0.00  0.00    +0.006 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.976   1.313  -0.864  0.00  0.00    -0.038 C 
ATOM     30  C   LIG    1       -5.727   2.264  -2.052  0.00  0.00    +0.010 C 
ATOM     31  C   LIG    1       -6.772   0.099  -1.370  0.00  0.00    +0.010 C 
ATOM     32  C   LIG    1       -6.808   2.062   0.191  0.00  0.00    +0.010 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 15