REMARK  Name = BDB060332
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.207  -2.500  -0.078  0.00  0.00    +0.080 C 
ATOM      2  C   LIG    1       -0.973  -2.886  -1.353  0.00  0.00    +0.028 C 
ATOM      3  C   LIG    1       -2.376  -2.308  -1.174  0.00  0.00    +0.039 C 
ATOM      4  C   LIG    1       -2.171  -1.187  -0.188  0.00  0.00    -0.026 C 
ATOM      5  C   LIG    1       -0.975  -1.309   0.411  0.00  0.00    -0.003 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -3.180  -0.170   0.054  0.00  0.00    +0.047 A 
ATOM      7  N   LIG    1       -2.803   0.962   0.742  0.00  0.00    -0.322 N 
ATOM      8  H   LIG    1       -1.848   1.067   1.057  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -3.627   2.024   1.041  0.00  0.00    +0.258 A 
ATOM     10  O   LIG    1       -3.223   3.009   1.649  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -5.024   1.919   0.585  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1       -5.410   0.783  -0.113  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1       -6.668   0.591  -0.579  0.00  0.00    -0.255 NA
ATOM     14  C   LIG    1       -7.563   1.575  -0.330  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1       -7.263   2.742   0.359  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -5.963   2.918   0.827  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1       -4.446  -0.280  -0.382  0.00  0.00    +0.054 A 
ENDBRANCH   4   6
BRANCH   1  21
ATOM     18  N   LIG    1        3.250  -0.311   0.603  0.00  0.00    -0.313 N 
ATOM     19  C   LIG    1        2.190   0.074  -0.343  0.00  0.00    +0.122 C 
ATOM     20  C   LIG    1        1.613  -1.140  -1.113  0.00  0.00    +0.104 C 
ATOM     21  N   LIG    1        1.223  -2.312  -0.306  0.00  0.00    -0.293 NA
ATOM     22  C   LIG    1        2.007  -2.409   0.943  0.00  0.00    +0.104 C 
ATOM     23  C   LIG    1        3.401  -1.752   0.857  0.00  0.00    +0.122 C 
BRANCH  18  27
ATOM     24  C   LIG    1        6.740   1.955   0.887  0.00  0.00    +0.070 A 
ATOM     25  C   LIG    1        6.716   0.576   0.985  0.00  0.00    +0.131 A 
ATOM     26  N   LIG    1        5.588  -0.170   0.892  0.00  0.00    -0.239 NA
ATOM     27  C   LIG    1        4.406   0.453   0.679  0.00  0.00    +0.121 A 
ATOM     28  C   LIG    1        4.358   1.846   0.587  0.00  0.00    +0.045 A 
ATOM     29  C   LIG    1        5.529   2.603   0.686  0.00  0.00    +0.024 A 
BRANCH  24  31
ATOM     30  N   LIG    1        8.965   3.260   1.084  0.00  0.00    -0.191 NA
ATOM     31  C   LIG    1        7.968   2.674   0.996  0.00  0.00    +0.101 C 
ENDBRANCH  24  31
ENDBRANCH  18  27
ENDBRANCH   1  21
TORSDOF 4