REMARK  Name = BDB060698
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.403   0.141   1.003  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1       -0.047   0.005  -0.313  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -1.417  -0.003  -0.601  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.378   0.106   0.415  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -1.913   0.270   1.721  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -0.541   0.278   2.017  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1        3.850   0.219   2.301  0.00  0.00    -0.251 N 
ATOM      8  H   LIG    1        4.304   0.310   3.198  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1        2.484   0.254   2.384  0.00  0.00    +0.309 C 
ATOM     10  N   LIG    1        1.794   0.138   1.209  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1        2.375   0.033   0.383  0.00  0.00    +0.156 HD
ATOM     12  O   LIG    1        1.994   0.386   3.505  0.00  0.00    -0.252 OA
BRANCH   7  16
ATOM     13  C   LIG    1        6.455  -0.092  -0.083  0.00  0.00    +0.144 A 
ATOM     14  O   LIG    1        5.336  -0.158  -0.859  0.00  0.00    -0.357 OA
ATOM     15  N   LIG    1        4.212  -0.050  -0.068  0.00  0.00    -0.063 NA
ATOM     16  C   LIG    1        4.651   0.082   1.189  0.00  0.00    +0.169 A 
ATOM     17  C   LIG    1        6.064   0.060   1.228  0.00  0.00    +0.092 A 
BRANCH  13  19
ATOM     18  C   LIG    1        7.906   0.954  -1.813  0.00  0.00    +0.019 C 
ATOM     19  C   LIG    1        7.774  -0.195  -0.797  0.00  0.00    +0.023 C 
ATOM     20  C   LIG    1        8.947  -0.106   0.197  0.00  0.00    +0.019 C 
ATOM     21  C   LIG    1        7.861  -1.542  -1.536  0.00  0.00    +0.019 C 
ENDBRANCH  13  19
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  22
ATOM     22  N   LIG    1       -3.736   0.137   0.056  0.00  0.00    -0.296 N 
ATOM     23  H   LIG    1       -3.913  -0.141  -0.904  0.00  0.00    +0.154 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.917  -0.056   0.822  0.00  0.00    +0.170 A 
ATOM     25  C   LIG    1       -6.144   0.082   0.163  0.00  0.00    +0.200 A 
ATOM     26  O   LIG    1       -6.105   0.312  -1.195  0.00  0.00    -0.485 OA
ATOM     27  C   LIG    1       -7.182   1.116  -1.678  0.00  0.00    +0.231 C 
ATOM     28  C   LIG    1       -8.412   0.276  -1.994  0.00  0.00    +0.060 C 
ATOM     29  C   LIG    1       -8.773  -0.690  -0.874  0.00  0.00    +0.106 C 
ATOM     30  N   LIG    1       -8.597  -0.052   0.417  0.00  0.00    -0.326 N 
ATOM     31  H   LIG    1       -9.203  -0.399   1.159  0.00  0.00    +0.148 HD
ATOM     32  C   LIG    1       -7.295  -0.106   0.929  0.00  0.00    +0.166 A 
ATOM     33  N   LIG    1       -7.242  -0.356   2.245  0.00  0.00    -0.217 NA
ATOM     34  C   LIG    1       -6.020  -0.439   2.785  0.00  0.00    +0.225 A 
ATOM     35  N   LIG    1       -4.856  -0.308   2.141  0.00  0.00    -0.217 NA
ENDBRANCH  22  24
ENDBRANCH   4  22
TORSDOF 5