REMARK  Name = BDB051056
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.101  -1.060   2.158  0.00  0.00    +0.084 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        1.259  -0.779   3.599  0.00  0.00    -0.325 NA
ATOM      3  H   LIG    1        0.884   0.160   3.765  0.00  0.00    +0.119 HD
ATOM      4  H   LIG    1        2.253  -0.678   3.807  0.00  0.00    +0.119 HD
ENDBRANCH   1   2
BRANCH   1   5
ATOM      5  C   LIG    1        1.530   0.163   1.290  0.00  0.00    +0.132 C 
BRANCH   5   6
ATOM      6  O   LIG    1        1.037   1.384   1.871  0.00  0.00    -0.390 OA
ATOM      7  H   LIG    1        0.064   1.336   1.891  0.00  0.00    +0.210 HD
ENDBRANCH   5   6
BRANCH   5   8
ATOM      8  C   LIG    1        3.054   0.352   1.187  0.00  0.00    +0.045 C 
BRANCH   8   9
ATOM      9  C   LIG    1        3.802  -0.734   0.398  0.00  0.00    +0.074 C 
ATOM     10  C   LIG    1        3.398  -0.788  -1.074  0.00  0.00    +0.017 C 
BRANCH   9  13
ATOM     11  N   LIG    1        5.807   0.629   0.006  0.00  0.00    -0.315 N 
ATOM     12  H   LIG    1        5.176   1.296  -0.417  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1        5.311  -0.542   0.530  0.00  0.00    +0.216 C 
ATOM     14  O   LIG    1        6.017  -1.390   1.069  0.00  0.00    -0.276 OA
BRANCH  11  15
ATOM     15  C   LIG    1        7.218   0.949   0.042  0.00  0.00    +0.104 C 
BRANCH  15  16
ATOM     16  C   LIG    1        8.030   0.238  -1.042  0.00  0.00    +0.018 C 
BRANCH  16  18
ATOM     17  C   LIG    1        6.543   0.641  -3.094  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1        7.901   0.846  -2.442  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       -0.330  -1.569   1.837  0.00  0.00    +0.056 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.463  -0.578   1.957  0.00  0.00    -0.046 A 
ATOM     21  C   LIG    1       -2.007   0.025   0.812  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -3.038   0.969   0.914  0.00  0.00    -0.047 A 
ATOM     23  C   LIG    1       -3.528   1.305   2.182  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1       -3.003   0.703   3.324  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -1.978  -0.235   3.212  0.00  0.00    +0.004 A 
BRANCH  22  26
ATOM     26  C   LIG    1       -3.617   1.609  -0.325  0.00  0.00    +0.035 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.467   0.656  -1.177  0.00  0.00    +0.005 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.772   0.241  -0.481  0.00  0.00    +0.006 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -6.716  -0.673  -1.308  0.00  0.00    -0.038 C 
ATOM     30  C   LIG    1       -7.177   0.022  -2.600  0.00  0.00    +0.010 C 
ATOM     31  C   LIG    1       -7.959  -0.980  -0.450  0.00  0.00    +0.010 C 
ATOM     32  C   LIG    1       -6.029  -2.002  -1.664  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