REMARK  Name = BDB051057
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.139  -0.342   1.769  0.00  0.00    +0.084 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -0.185   0.493   2.954  0.00  0.00    -0.325 NA
ATOM      3  H   LIG    1        0.179   1.434   2.799  0.00  0.00    +0.119 HD
ATOM      4  H   LIG    1        0.377   0.145   3.737  0.00  0.00    +0.119 HD
ENDBRANCH   1   2
BRANCH   1   5
ATOM      5  C   LIG    1        1.667  -0.637   1.760  0.00  0.00    +0.132 C 
BRANCH   5   6
ATOM      6  O   LIG    1        2.070  -1.044   3.083  0.00  0.00    -0.390 OA
ATOM      7  H   LIG    1        1.487  -1.780   3.344  0.00  0.00    +0.210 HD
ENDBRANCH   5   6
BRANCH   5   8
ATOM      8  C   LIG    1        2.056  -1.766   0.788  0.00  0.00    +0.045 C 
BRANCH   8   9
ATOM      9  C   LIG    1        3.584  -1.952   0.689  0.00  0.00    +0.074 C 
ATOM     10  C   LIG    1        3.909  -3.230  -0.087  0.00  0.00    +0.017 C 
BRANCH   9  13
ATOM     11  N   LIG    1        5.606  -0.714   0.135  0.00  0.00    -0.315 N 
ATOM     12  H   LIG    1        6.076  -1.446   0.652  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1        4.237  -0.761  -0.011  0.00  0.00    +0.216 C 
ATOM     14  O   LIG    1        3.601   0.065  -0.658  0.00  0.00    -0.276 OA
BRANCH  11  15
ATOM     15  C   LIG    1        6.412   0.308  -0.502  0.00  0.00    +0.104 C 
BRANCH  15  16
ATOM     16  C   LIG    1        6.744  -0.066  -1.945  0.00  0.00    +0.018 C 
BRANCH  16  18
ATOM     17  C   LIG    1        7.109   2.306  -2.808  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1        7.702   0.918  -2.619  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       -0.339   0.346   0.469  0.00  0.00    +0.056 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.766   0.002   0.108  0.00  0.00    -0.046 A 
ATOM     21  C   LIG    1       -2.837   0.535   0.835  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -4.159   0.212   0.506  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1       -4.426  -0.654  -0.552  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1       -3.362  -1.178  -1.288  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -2.041  -0.859  -0.961  0.00  0.00    +0.007 A 
BRANCH  23  26
ATOM     26  O   LIG    1       -5.665  -1.043  -0.982  0.00  0.00    -0.487 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -6.780  -0.818  -0.116  0.00  0.00    +0.264 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -7.422   0.540  -0.293  0.00  0.00    -0.010 A 
ATOM     29  C   LIG    1       -7.395   1.207  -1.526  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -8.018   2.447  -1.677  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -8.684   3.030  -0.601  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -8.732   2.371   0.626  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -8.109   1.131   0.778  0.00  0.00    +0.007 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 14