REMARK  Name = BDB012906
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.497   0.754  -0.516  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        1.422   0.003  -0.964  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        0.154   0.658  -1.260  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -0.790  -0.484  -1.651  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -0.267  -1.641  -0.804  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        1.242  -1.439  -0.848  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        2.385   1.963  -0.326  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        5.723  -0.638   0.461  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        5.436  -1.416  -0.590  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        4.268  -0.932  -1.041  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        3.886  -1.325  -1.894  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        3.740   0.066  -0.273  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        4.701   0.314   0.687  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        6.730  -1.223   2.682  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        7.001  -0.840   1.226  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        7.900   0.395   1.155  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1       -2.184  -0.203  -1.412  0.00  0.00    -0.306 N 
ATOM     18  H   LIG    1       -2.605  -0.343  -0.495  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -2.908   0.630  -2.239  0.00  0.00    +0.264 C 
ATOM     20  O   LIG    1       -2.487   1.053  -3.311  0.00  0.00    -0.268 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -4.228   0.980  -1.693  0.00  0.00    +0.147 A 
ATOM     22  N   LIG    1       -4.631   0.550  -0.478  0.00  0.00    -0.166 NA
ATOM     23  N   LIG    1       -5.865   1.076  -0.336  0.00  0.00    -0.268 N 
ATOM     24  C   LIG    1       -6.261   1.824  -1.407  0.00  0.00    +0.109 A 
ATOM     25  C   LIG    1       -5.222   1.784  -2.304  0.00  0.00    +0.054 A 
BRANCH  23  26
ATOM     26  C   LIG    1       -6.639   0.827   0.877  0.00  0.00    +0.101 C 
ATOM     27  C   LIG    1       -5.943   1.400   2.111  0.00  0.00    +0.032 C 
ATOM     28  C   LIG    1       -6.944  -0.660   1.048  0.00  0.00    +0.032 C 
ENDBRANCH  23  26
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 5