REMARK  Name = BDB062359
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.272  -1.401  -0.703  0.00  0.00    +0.226 C 
ATOM      2  N   LIG    1        0.130  -2.163  -0.425  0.00  0.00    -0.293 N 
ATOM      3  C   LIG    1       -0.029  -3.343  -1.277  0.00  0.00    +0.133 C 
ATOM      4  O   LIG    1        1.976  -1.730  -1.670  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        1.700  -0.145   0.149  0.00  0.00    +0.072 C 
ATOM      6  C   LIG    1        1.484  -0.271   1.690  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.674   0.953   2.135  0.00  0.00    +0.001 C 
ATOM      8  C   LIG    1        0.751   1.939   0.984  0.00  0.00    +0.001 C 
ATOM      9  C   LIG    1        0.811   1.057  -0.254  0.00  0.00    +0.021 C 
BRANCH   5  13
ATOM     10  C   LIG    1        6.043   0.443  -0.292  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1        5.170   1.472  -0.637  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        3.782   1.303  -0.511  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        3.231   0.103  -0.036  0.00  0.00    -0.032 A 
ATOM     14  C   LIG    1        4.133  -0.926   0.304  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        5.515  -0.756   0.180  0.00  0.00    +0.046 A 
BRANCH  10  17
ATOM     16  C   LIG    1        7.985   1.659  -0.916  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        7.407   0.483  -0.364  0.00  0.00    -0.495 OA
ENDBRANCH  10  17
ENDBRANCH   5  13
ENDBRANCH   1   5
BRANCH   2  18
ATOM     18  C   LIG    1       -1.087  -1.687   0.271  0.00  0.00    +0.159 C 
ATOM     19  C   LIG    1       -1.594  -2.706   1.297  0.00  0.00    +0.038 C 
BRANCH  18  20
ATOM     20  C   LIG    1       -2.249  -1.251  -0.670  0.00  0.00    +0.237 C 
ATOM     21  N   LIG    1       -3.194  -0.471  -0.012  0.00  0.00    -0.283 N 
ATOM     22  H   LIG    1       -3.025  -0.266   0.964  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1       -2.305  -1.590  -1.847  0.00  0.00    -0.273 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -4.372   0.098  -0.549  0.00  0.00    +0.044 A 
ATOM     25  C   LIG    1       -5.199   0.873   0.299  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1       -6.364   1.446  -0.206  0.00  0.00    +0.068 A 
ATOM     27  N   LIG    1       -6.931   2.119   0.845  0.00  0.00    -0.277 N 
ATOM     28  H   LIG    1       -7.791   2.656   0.842  0.00  0.00    +0.189 HD
ATOM     29  N   LIG    1       -6.234   2.034   1.991  0.00  0.00    -0.181 NA
ATOM     30  C   LIG    1       -6.775   1.298  -1.532  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1       -5.954   0.534  -2.362  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -5.186   1.278   1.657  0.00  0.00    +0.144 A 
ATOM     33  C   LIG    1       -4.779  -0.054  -1.883  0.00  0.00    +0.024 A 
ENDBRANCH  21  24
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 6