REMARK  Name = BDB014881
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.692  -4.102   2.377  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -5.157  -3.409   1.120  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.273  -2.519   0.522  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.844  -2.456   0.896  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.220  -1.203   0.400  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.926  -0.654   0.605  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.805   0.511  -0.038  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.977   0.695  -0.675  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -2.859  -0.312  -0.436  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.246  -0.464  -0.934  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.659  -1.942  -0.784  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -6.283  -3.634   0.676  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.007  -1.259   1.382  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1       -0.267  -2.088   1.891  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.381  -0.976   1.564  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        2.103  -0.090   0.755  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1        3.451   0.191   1.016  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1        4.103  -0.426   2.089  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        3.398  -1.304   2.908  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        2.050  -1.568   2.650  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1        4.171   1.130   0.118  0.00  0.00    +0.244 C 
ATOM     22  N   LIG    1        5.081   1.966   0.740  0.00  0.00    -0.308 N 
ATOM     23  H   LIG    1        5.080   2.016   1.751  0.00  0.00    +0.149 HD
ATOM     24  O   LIG    1        3.930   1.148  -1.084  0.00  0.00    -0.270 OA
BRANCH  22  25
ATOM     25  C   LIG    1        5.810   2.959   0.018  0.00  0.00    +0.073 C 
ATOM     26  C   LIG    1        6.958   3.687   0.663  0.00  0.00    +0.024 C 
ATOM     27  C   LIG    1        7.220   2.692  -0.428  0.00  0.00    +0.024 C 
ENDBRANCH  22  25
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  28
ATOM     28  C   LIG    1       -2.168   1.892  -1.484  0.00  0.00    +0.147 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.538   1.758  -2.839  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1       -2.325   1.262  -4.027  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1       -1.920   2.708  -3.946  0.00  0.00    +0.005 C 
ENDBRANCH  28  29
ENDBRANCH   8  28
TORSDOF 6