REMARK  Name = BDB020822
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.643  -0.242   0.426  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1       -2.122  -0.498  -0.891  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1       -3.482  -0.594  -1.063  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -3.664  -0.868  -2.387  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -2.502  -0.904  -3.000  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -4.406  -0.430  -0.023  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -3.965  -0.185   1.182  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -1.527  -0.673  -2.055  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -2.600  -0.092   1.371  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  15
ATOM     10  O   LIG    1        4.478  -0.755   2.183  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1        3.978  -0.040   1.310  0.00  0.00    +0.230 C 
ATOM     12  N   LIG    1        2.589   0.084   1.191  0.00  0.00    -0.296 N 
ATOM     13  C   LIG    1        1.929   1.178   0.480  0.00  0.00    +0.113 C 
ATOM     14  C   LIG    1        0.626   0.721  -0.177  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1       -0.222  -0.104   0.761  0.00  0.00    -0.036 C 
ATOM     16  C   LIG    1        0.344  -0.689   1.835  0.00  0.00    -0.004 C 
ATOM     17  C   LIG    1        1.796  -0.603   2.204  0.00  0.00    +0.135 C 
BRANCH  11  18
ATOM     18  C   LIG    1        4.829   0.738   0.282  0.00  0.00    +0.180 C 
BRANCH  18  19
ATOM     19  N   LIG    1        6.270   0.428   0.372  0.00  0.00    -0.290 NA
ATOM     20  C   LIG    1        6.591  -0.954  -0.046  0.00  0.00    +0.113 C 
ATOM     21  C   LIG    1        7.198  -1.046  -1.457  0.00  0.00    +0.175 C 
ATOM     22  O   LIG    1        8.395  -0.272  -1.618  0.00  0.00    -0.377 OA
ATOM     23  C   LIG    1        8.457   0.858  -0.738  0.00  0.00    +0.175 C 
ATOM     24  C   LIG    1        7.066   1.408  -0.391  0.00  0.00    +0.113 C 
ENDBRANCH  18  19
ENDBRANCH  11  18
ENDBRANCH   1  15
BRANCH   6  25
ATOM     25  N   LIG    1       -5.750  -0.532  -0.300  0.00  0.00    -0.307 N 
ATOM     26  H   LIG    1       -6.070  -0.362  -1.248  0.00  0.00    +0.149 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -6.755  -0.149   0.680  0.00  0.00    +0.178 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -8.148  -0.297   0.172  0.00  0.00    +0.122 A 
ATOM     29  O   LIG    1       -8.390   0.177  -1.087  0.00  0.00    -0.466 OA
ATOM     30  C   LIG    1       -9.702  -0.053  -1.351  0.00  0.00    +0.195 A 
ATOM     31  C   LIG    1      -10.307  -0.671  -0.282  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1       -9.304  -0.830   0.704  0.00  0.00    +0.046 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   6  25
TORSDOF 6