REMARK  Name = BDB030620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.643   1.559   0.661  0.00  0.00    +0.266 C 
ATOM      2  N   LIG    1       -0.311   1.321   0.359  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.212   0.292  -0.528  0.00  0.00    +0.113 C 
ATOM      4  C   LIG    1        1.699   0.467  -0.479  0.00  0.00    +0.024 C 
ATOM      5  C   LIG    1        2.550   0.230   0.771  0.00  0.00    +0.019 C 
ATOM      6  C   LIG    1        1.962  -0.514   1.949  0.00  0.00    +0.018 C 
ATOM      7  C   LIG    1        2.006   1.616   0.419  0.00  0.00    +0.024 C 
ATOM      8  C   LIG    1        0.718   2.170   0.933  0.00  0.00    +0.113 C 
ATOM      9  O   LIG    1       -1.961   2.473   1.426  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        4.006   0.014   0.554  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1        4.523  -1.166  -0.184  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1        5.968  -0.878  -0.076  0.00  0.00    +0.144 C 
ATOM     13  C   LIG    1        6.932  -1.191  -1.185  0.00  0.00    +0.055 C 
ATOM     14  C   LIG    1        6.989  -1.966   0.101  0.00  0.00    +0.055 C 
ATOM     15  O   LIG    1        6.174   0.351   0.656  0.00  0.00    -0.387 OA
ATOM     16  N   LIG    1        4.887   0.839   1.018  0.00  0.00    -0.093 NA
ENDBRANCH   5  10
BRANCH   1  19
ATOM     17  N   LIG    1       -4.640  -0.141  -0.466  0.00  0.00    -0.334 N 
ATOM     18  C   LIG    1       -4.039   0.833   0.278  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1       -2.678   0.703   0.053  0.00  0.00    +0.143 A 
ATOM     20  N   LIG    1       -2.465  -0.350  -0.825  0.00  0.00    -0.231 NA
ATOM     21  C   LIG    1       -3.654  -0.828  -1.113  0.00  0.00    +0.200 A 
BRANCH  17  23
ATOM     22  C   LIG    1       -6.659  -0.823   0.784  0.00  0.00    +0.030 C 
ATOM     23  C   LIG    1       -6.069  -0.412  -0.565  0.00  0.00    +0.082 C 
ATOM     24  C   LIG    1       -6.826   0.771  -1.167  0.00  0.00    +0.030 C 
ENDBRANCH  17  23
ENDBRANCH   1  19
TORSDOF 3