REMARK  Name = BDB024179
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.414   1.536   0.089  0.00  0.00    +0.171 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.352   2.146   1.125  0.00  0.00    -0.022 A 
ATOM      3  C   LIG    1       -1.336   1.807   2.489  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -2.268   2.357   3.378  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -3.240   3.243   2.914  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -3.279   3.587   1.564  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -2.346   3.044   0.679  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  C   LIG    1        1.010   1.088   0.535  0.00  0.00    +0.240 C 
ATOM      9  N   LIG    1        1.687   0.506  -0.522  0.00  0.00    -0.269 N 
ATOM     10  H   LIG    1        1.184   0.428  -1.401  0.00  0.00    +0.156 HD
ATOM     11  O   LIG    1        1.472   1.261   1.659  0.00  0.00    -0.273 OA
BRANCH   9  12
ATOM     12  C   LIG    1        2.968  -0.033  -0.569  0.00  0.00    +0.125 A 
ATOM     13  N   LIG    1        3.310  -0.498  -1.787  0.00  0.00    -0.240 NA
ATOM     14  C   LIG    1        4.543  -1.051  -1.922  0.00  0.00    +0.116 A 
ATOM     15  C   LIG    1        5.494  -1.180  -0.905  0.00  0.00    -0.026 A 
ATOM     16  C   LIG    1        5.088  -0.683   0.341  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        3.825  -0.104   0.517  0.00  0.00    +0.044 A 
BRANCH  15  18
ATOM     18  C   LIG    1        6.838  -1.820  -1.184  0.00  0.00    +0.021 C 
ATOM     19  C   LIG    1        7.325  -2.953  -0.311  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1        8.035  -1.630  -0.283  0.00  0.00    +0.009 C 
ENDBRANCH  15  18
ENDBRANCH   9  12
ENDBRANCH   1   8
BRANCH   1  21
ATOM     21  N   LIG    1       -1.080   0.455  -0.701  0.00  0.00    -0.302 NA
ATOM     22  H   LIG    1       -1.980   0.821  -1.017  0.00  0.00    +0.123 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -1.333  -0.764   0.089  0.00  0.00    +0.086 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.221  -1.762  -0.679  0.00  0.00    +0.050 C 
BRANCH  24  28
ATOM     25  C   LIG    1       -6.168  -0.264  -1.637  0.00  0.00    +0.052 A 
ATOM     26  C   LIG    1       -5.332  -0.753  -2.647  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1       -4.062  -1.243  -2.332  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -3.608  -1.245  -1.005  0.00  0.00    -0.046 A 
ATOM     29  C   LIG    1       -4.461  -0.772   0.005  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -5.731  -0.280  -0.309  0.00  0.00    +0.019 A 
BRANCH  25  32
ATOM     31  N   LIG    1       -8.500   0.703  -2.248  0.00  0.00    -0.191 NA
ATOM     32  C   LIG    1       -7.460   0.264  -1.965  0.00  0.00    +0.099 C 
ENDBRANCH  25  32
ENDBRANCH  24  28
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 9