REMARK  Name = BDB034512
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.915   0.241  -0.187  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        4.245   1.244   0.491  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.547   2.416   0.595  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        3.030   0.642   1.051  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        2.966  -0.682   0.620  0.00  0.00    -0.015 A 
ATOM      6  C   LIG    1        1.907  -1.491   0.997  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1        0.913  -0.930   1.806  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1        1.004   0.400   2.255  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        2.071   1.211   1.866  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1        4.141  -0.992  -0.243  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        7.597   4.239  -1.796  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        7.160   3.122  -1.527  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        6.342   2.467  -2.410  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        6.082   2.995  -3.230  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        5.734   1.247  -2.267  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        4.904   0.859  -3.091  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        6.093   0.428  -1.027  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        7.347   0.921  -0.310  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        7.473   2.432  -0.224  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   7  20
ATOM     20  O   LIG    1       -0.155  -1.653   2.262  0.00  0.00    -0.487 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -0.944  -2.272   1.225  0.00  0.00    +0.190 C 
ATOM     22  C   LIG    1       -2.422  -1.781   1.315  0.00  0.00    +0.097 C 
ATOM     23  C   LIG    1       -3.318  -2.519   0.285  0.00  0.00    +0.022 C 
ATOM     24  C   LIG    1       -2.809  -3.906  -0.111  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -2.076  -4.582   1.031  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1       -0.838  -3.793   1.444  0.00  0.00    +0.046 C 
BRANCH  22  27
ATOM     27  N   LIG    1       -2.506  -0.307   1.346  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1       -2.187   0.376   0.076  0.00  0.00    +0.090 C 
ATOM     29  C   LIG    1       -3.306   1.395   0.431  0.00  0.00    +0.020 C 
ATOM     30  C   LIG    1       -3.874   0.244   1.312  0.00  0.00    +0.090 C 
BRANCH  29  31
ATOM     31  C   LIG    1       -4.119   2.042  -0.687  0.00  0.00    -0.005 C 
ATOM     32  C   LIG    1       -4.684   1.055  -1.717  0.00  0.00    +0.004 C 
ATOM     33  C   LIG    1       -6.102   1.536  -1.990  0.00  0.00    +0.000 C 
ATOM     34  C   LIG    1       -6.556   2.051  -0.637  0.00  0.00    +0.000 C 
ATOM     35  C   LIG    1       -5.333   2.793  -0.115  0.00  0.00    +0.004 C 
ENDBRANCH  29  31
ENDBRANCH  22  27
ENDBRANCH  20  21
ENDBRANCH   7  20
TORSDOF 5