REMARK  Name = BDB014977
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.655  -0.811  -0.807  0.00  0.00    +0.166 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -0.635  -2.184  -0.391  0.00  0.00    -0.387 OA
ATOM      3  H   LIG    1       -1.365  -2.262   0.257  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1       -1.135   0.064   0.372  0.00  0.00    +0.119 C 
BRANCH   4   5
ATOM      5  N   LIG    1       -2.417  -0.423   0.940  0.00  0.00    -0.295 NA
ATOM      6  C   LIG    1       -3.546  -0.182   0.014  0.00  0.00    +0.120 C 
ATOM      7  C   LIG    1       -4.908  -0.458   0.618  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1       -5.088  -0.507   2.010  0.00  0.00    -0.042 A 
ATOM      9  C   LIG    1       -6.363  -0.739   2.542  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -7.461  -0.894   1.697  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -7.292  -0.825   0.316  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -3.898  -0.374   2.924  0.00  0.00    +0.051 C 
ATOM     13  C   LIG    1       -6.023  -0.606  -0.222  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1       -2.689   0.255   2.221  0.00  0.00    +0.089 C 
ENDBRANCH   4   5
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1        0.731  -0.398  -1.329  0.00  0.00    +0.261 C 
BRANCH  15  16
ATOM     16  O   LIG    1        1.661  -0.291  -0.247  0.00  0.00    -0.489 OA
BRANCH  16  17
ATOM     17  C   LIG    1        2.946   0.054  -0.558  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        3.814   0.105   0.535  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1        5.161   0.446   0.371  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1        5.650   0.746  -0.905  0.00  0.00    +0.067 A 
ATOM     21  C   LIG    1        4.779   0.697  -2.003  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1        3.433   0.350  -1.829  0.00  0.00    +0.048 A 
BRANCH  20  23
ATOM     23  N   LIG    1        7.009   1.097  -1.109  0.00  0.00    -0.220 N 
ATOM     24  N   LIG    1        7.495   1.416  -2.336  0.00  0.00    -0.154 NA
ATOM     25  C   LIG    1        8.776   1.675  -2.075  0.00  0.00    +0.245 A 
ATOM     26  N   LIG    1        9.148   1.548  -0.772  0.00  0.00    -0.222 NA
ATOM     27  C   LIG    1        8.028   1.183  -0.190  0.00  0.00    +0.225 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 7