REMARK  Name = BDB013372
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.653   0.174  -0.281  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1       -0.315   0.959  -0.942  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -1.681   0.807  -0.677  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.144  -0.123   0.260  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -3.602  -0.233   0.503  0.00  0.00    -0.030 A 
ATOM      6  C   LIG    1       -4.105  -1.204   1.547  0.00  0.00    +0.036 C 
ATOM      7  C   LIG    1       -5.580  -1.016   1.914  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1       -6.428  -0.780   0.674  0.00  0.00    +0.005 C 
ATOM      9  C   LIG    1       -5.952   0.463  -0.077  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1       -4.453   0.537  -0.209  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -3.947   1.527  -1.206  0.00  0.00    +0.253 A 
ATOM     12  O   LIG    1       -4.706   2.249  -1.846  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -1.191  -0.912   0.911  0.00  0.00    +0.010 A 
ATOM     14  N   LIG    1       -2.595   1.602  -1.373  0.00  0.00    -0.322 N 
ATOM     15  H   LIG    1       -2.278   2.272  -2.059  0.00  0.00    +0.169 HD
ATOM     16  C   LIG    1        0.181  -0.767   0.648  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        2.549   1.806  -0.142  0.00  0.00    +0.032 C 
ATOM     18  C   LIG    1        2.161   0.379  -0.596  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.369   0.266  -2.067  0.00  0.00    +0.074 C 
ATOM     20  N   LIG    1        2.513   0.184  -3.216  0.00  0.00    -0.196 NA
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        3.078  -0.670   0.117  0.00  0.00    +0.061 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.576  -0.530  -0.074  0.00  0.00    -0.046 A 
ATOM     23  C   LIG    1        5.351   0.154   0.874  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        6.730   0.288   0.701  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        7.349  -0.264  -0.419  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.591  -0.953  -1.363  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.212  -1.089  -1.190  0.00  0.00    +0.004 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4