REMARK  Name = BDB021831
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.068   0.562  -0.353  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -0.965   0.112   0.492  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.196   0.021  -0.123  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -2.311   0.612  -0.932  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -0.761  -0.154   1.674  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        4.303   0.534  -0.419  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1        3.684   1.750   0.116  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        2.229   1.880  -0.327  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        1.400   0.735   0.272  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        2.189  -0.585   0.360  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        3.402  -0.610  -0.568  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1        5.636   0.262   0.155  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        6.467  -0.556  -0.844  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1        5.591  -0.396   1.554  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1        7.718   0.683   2.478  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        6.954  -0.607   2.228  0.00  0.00    -0.002 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1       -3.385  -0.532   0.400  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1       -4.569  -0.276  -0.310  0.00  0.00    +0.073 A 
ATOM     19  C   LIG    1       -5.789  -0.800   0.124  0.00  0.00    +0.167 A 
ATOM     20  C   LIG    1       -5.809  -1.609   1.271  0.00  0.00    +0.204 A 
ATOM     21  C   LIG    1       -4.637  -1.860   2.003  0.00  0.00    +0.167 A 
ATOM     22  C   LIG    1       -3.426  -1.330   1.547  0.00  0.00    +0.073 A 
BRANCH  19  23
ATOM     23  O   LIG    1       -6.991  -0.605  -0.506  0.00  0.00    -0.491 OA
ATOM     24  C   LIG    1       -7.051   0.416  -1.493  0.00  0.00    +0.277 C 
ENDBRANCH  19  23
BRANCH  20  25
ATOM     25  O   LIG    1       -7.013  -2.098   1.728  0.00  0.00    -0.488 OA
ATOM     26  C   LIG    1       -7.244  -3.396   1.182  0.00  0.00    +0.277 C 
ENDBRANCH  20  25
BRANCH  21  27
ATOM     27  O   LIG    1       -4.772  -2.647   3.119  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -3.679  -2.664   4.029  0.00  0.00    +0.277 C 
ENDBRANCH  21  27
ENDBRANCH   3  17
BRANCH   1  29
ATOM     29  C   LIG    1        0.008   0.339  -1.805  0.00  0.00    +0.144 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -0.772   1.385  -2.574  0.00  0.00    -0.030 A 
ATOM     31  C   LIG    1       -0.877   2.714  -2.139  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -1.603   3.650  -2.877  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -2.223   3.273  -4.066  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -2.115   1.962  -4.521  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -1.390   1.024  -3.782  0.00  0.00    +0.005 A 
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 10