REMARK  Name = BDB048332
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.741   4.530  -0.352  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.625   3.313  -0.244  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.996   2.080  -0.128  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.551   1.951   0.150  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.067   0.585  -0.184  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        0.243   0.033  -0.206  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1        0.196  -1.256  -0.563  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.104  -1.525  -0.765  0.00  0.00    -0.265 N 
ATOM      9  C   LIG    1       -1.902  -0.452  -0.543  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -3.378  -0.350  -0.657  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -3.843   0.894   0.126  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -4.849   3.440  -0.274  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        1.338   0.764   0.117  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        1.191   1.721   0.409  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        2.717   0.446   0.121  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        3.237  -0.775  -0.325  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        4.616  -1.049  -0.282  0.00  0.00    -0.049 A 
ATOM     18  C   LIG    1        5.139  -2.354  -0.803  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        5.492  -0.072   0.196  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        4.997   1.147   0.649  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        3.623   1.400   0.614  0.00  0.00    +0.023 A 
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  22
ATOM     22  C   LIG    1       -1.480  -2.869  -1.161  0.00  0.00    +0.158 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -1.326  -3.871  -0.025  0.00  0.00    +0.141 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.347  -3.656   1.007  0.00  0.00    +0.064 C 
ATOM     25  N   LIG    1       -3.180  -3.483   1.796  0.00  0.00    -0.197 NA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 5