REMARK  Name = BDB063237
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.713  -0.039  -0.850  0.00  0.00    +0.147 A 
ATOM      2  N   LIG    1       -0.500   0.321  -0.391  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -1.560   0.072  -1.191  0.00  0.00    +0.258 A 
ATOM      4  N   LIG    1       -1.442  -0.494  -2.413  0.00  0.00    -0.110 NA
ATOM      5  N   LIG    1       -0.219  -0.830  -2.888  0.00  0.00    -0.151 NA
ATOM      6  C   LIG    1        0.849  -0.595  -2.106  0.00  0.00    +0.178 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.863   0.423  -0.735  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1       -4.068   0.279  -1.421  0.00  0.00    +0.076 A 
ATOM      9  C   LIG    1       -5.030   0.786  -0.549  0.00  0.00    +0.090 A 
ATOM     10  C   LIG    1       -6.382   0.801  -0.928  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -6.742   0.303  -2.184  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -5.772  -0.201  -3.048  0.00  0.00    +0.002 A 
ATOM     13  N   LIG    1       -4.469   1.217   0.618  0.00  0.00    -0.232 NA
ATOM     14  C   LIG    1       -4.419  -0.223  -2.687  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -3.181   0.982   0.495  0.00  0.00    +0.121 A 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.193   1.331   1.657  0.00  0.00    +0.056 C 
ATOM     17  C   LIG    1       -1.758   0.233   2.595  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1       -2.697   1.298   3.078  0.00  0.00    +0.012 C 
ENDBRANCH  15  16
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  N   LIG    1        1.790   0.240  -0.007  0.00  0.00    -0.298 N 
ATOM     20  H   LIG    1        1.450   0.707   0.829  0.00  0.00    +0.154 HD
BRANCH  19  24
ATOM     21  C   LIG    1        5.561  -1.583   0.612  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1        5.302  -0.291   1.060  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        4.041   0.284   0.851  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1        3.017  -0.414   0.195  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        3.292  -1.709  -0.251  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        4.549  -2.287  -0.042  0.00  0.00    +0.047 A 
BRANCH  21  28
ATOM     27  C   LIG    1        7.800  -1.587   1.408  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1        6.738  -2.263   0.747  0.00  0.00    -0.495 OA
ENDBRANCH  21  28
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 5