REMARK  Name = BDB059220
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.891   3.585  -0.989  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        0.534   2.291  -0.660  0.00  0.00    +0.163 A 
ATOM      3  N   LIG    1        1.717   1.612  -0.368  0.00  0.00    -0.200 N 
ATOM      4  C   LIG    1        1.710   0.248   0.017  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1        0.520  -0.373   0.082  0.00  0.00    +0.087 A 
ATOM      6  C   LIG    1       -0.711   0.414  -0.261  0.00  0.00    +0.124 A 
ATOM      7  N   LIG    1        2.810   2.417  -0.523  0.00  0.00    -0.171 NA
ATOM      8  N   LIG    1       -0.687   1.681  -0.597  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        2.299   3.593  -0.883  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        0.257   5.201  -2.796  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1       -0.020   4.712  -1.374  0.00  0.00    +0.018 C 
ATOM     12  C   LIG    1        0.068   5.872  -0.380  0.00  0.00    +0.012 C 
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  N   LIG    1       -1.963  -0.154  -0.217  0.00  0.00    -0.329 N 
ATOM     14  H   LIG    1       -2.635   0.546  -0.527  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -2.264  -1.461  -0.787  0.00  0.00    +0.109 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.505  -2.094  -0.133  0.00  0.00    +0.035 C 
ATOM     17  C   LIG    1       -4.790  -1.280  -0.360  0.00  0.00    +0.119 C 
ATOM     18  C   LIG    1       -6.000  -1.959   0.284  0.00  0.00    +0.031 C 
ATOM     19  C   LIG    1       -5.776  -2.228   1.767  0.00  0.00    +0.003 C 
ATOM     20  C   LIG    1       -4.501  -3.033   2.002  0.00  0.00    +0.000 C 
ATOM     21  C   LIG    1       -3.286  -2.362   1.366  0.00  0.00    +0.007 C 
BRANCH  17  22
ATOM     22  O   LIG    1       -5.020  -1.152  -1.761  0.00  0.00    -0.391 OA
ATOM     23  H   LIG    1       -5.849  -0.655  -1.879  0.00  0.00    +0.210 HD
ENDBRANCH  17  22
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   4  24
ATOM     24  N   LIG    1        2.944  -0.337   0.313  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1        3.710   0.301   0.066  0.00  0.00    +0.148 HD
BRANCH  24  26
ATOM     26  C   LIG    1        3.271  -1.737   0.130  0.00  0.00    +0.138 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.711  -1.977   0.509  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        5.100  -1.962   1.857  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        6.432  -2.175   2.213  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.390  -2.400   1.227  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.018  -2.408  -0.116  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        5.686  -2.194  -0.475  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   4  24
TORSDOF 8