REMARK  Name = BDB051047
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.794   2.651   1.121  0.00  0.00    +0.080 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        1.883   3.591   2.269  0.00  0.00    -0.325 NA
ATOM      3  H   LIG    1        1.548   3.104   3.103  0.00  0.00    +0.119 HD
ATOM      4  H   LIG    1        1.204   4.340   2.125  0.00  0.00    +0.119 HD
ENDBRANCH   1   2
BRANCH   1   5
ATOM      5  C   LIG    1        2.618   3.228  -0.056  0.00  0.00    +0.132 C 
BRANCH   5   6
ATOM      6  O   LIG    1        2.099   4.534  -0.385  0.00  0.00    -0.390 OA
ATOM      7  H   LIG    1        2.227   5.063   0.423  0.00  0.00    +0.210 HD
ENDBRANCH   5   6
BRANCH   5   8
ATOM      8  C   LIG    1        4.135   3.400   0.178  0.00  0.00    +0.045 C 
BRANCH   8   9
ATOM      9  C   LIG    1        4.988   2.240   0.730  0.00  0.00    +0.074 C 
ATOM     10  C   LIG    1        4.933   2.132   2.257  0.00  0.00    +0.017 C 
BRANCH   9  13
ATOM     11  N   LIG    1        5.677  -0.071   0.376  0.00  0.00    -0.315 N 
ATOM     12  H   LIG    1        6.434   0.158   1.006  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1        4.725   0.883   0.079  0.00  0.00    +0.216 C 
ATOM     14  O   LIG    1        3.757   0.644  -0.633  0.00  0.00    -0.276 OA
BRANCH  11  15
ATOM     15  C   LIG    1        5.559  -1.438  -0.092  0.00  0.00    +0.104 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.634  -2.256   0.808  0.00  0.00    +0.018 C 
BRANCH  16  18
ATOM     17  C   LIG    1        3.902  -3.961  -0.939  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1        4.557  -3.731   0.414  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        0.291   2.435   0.814  0.00  0.00    +0.024 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -0.046   1.187  -0.038  0.00  0.00    -0.009 C 
ATOM     21  C   LIG    1       -1.517   0.787   0.181  0.00  0.00    +0.007 C 
ATOM     22  C   LIG    1       -1.881  -0.542  -0.515  0.00  0.00    -0.011 C 
ATOM     23  C   LIG    1       -1.085  -0.747  -1.819  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -0.694   0.578  -2.455  0.00  0.00    +0.001 C 
ATOM     25  C   LIG    1        0.231   1.384  -1.540  0.00  0.00    +0.003 C 
BRANCH  22  26
ATOM     26  C   LIG    1       -3.400  -0.652  -0.783  0.00  0.00    +0.003 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.247  -0.646   0.491  0.00  0.00    +0.001 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.764  -0.535   0.270  0.00  0.00    +0.006 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -6.523  -1.697  -0.431  0.00  0.00    -0.038 C 
ATOM     30  C   LIG    1       -8.023  -1.552  -0.086  0.00  0.00    +0.010 C 
ATOM     31  C   LIG    1       -6.401  -1.618  -1.963  0.00  0.00    +0.010 C 
ATOM     32  C   LIG    1       -6.049  -3.074   0.056  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