REMARK  Name = BDB063238
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.666  -0.446   0.567  0.00  0.00    +0.258 A 
ATOM      2  N   LIG    1       -0.665   0.298   0.051  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.550   0.179   0.621  0.00  0.00    +0.147 A 
ATOM      4  C   LIG    1        0.733  -0.645   1.712  0.00  0.00    +0.178 A 
ATOM      5  N   LIG    1       -0.276  -1.380   2.209  0.00  0.00    -0.151 NA
ATOM      6  N   LIG    1       -1.491  -1.277   1.618  0.00  0.00    -0.110 NA
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.362   0.422  -1.106  0.00  0.00    +0.117 A 
ATOM      8  N   LIG    1       -2.970  -0.356  -0.014  0.00  0.00    -0.263 N 
ATOM      9  C   LIG    1       -4.114  -1.037   0.412  0.00  0.00    +0.076 A 
ATOM     10  C   LIG    1       -5.121  -0.614  -0.451  0.00  0.00    +0.090 A 
ATOM     11  C   LIG    1       -6.428  -1.107  -0.306  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -6.700  -2.022   0.713  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -5.689  -2.440   1.574  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -4.380  -1.958   1.443  0.00  0.00    +0.028 A 
ATOM     15  N   LIG    1       -4.647   0.274  -1.369  0.00  0.00    -0.232 NA
BRANCH   7  17
ATOM     16  C   LIG    1       -2.356   2.704  -1.297  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -2.485   1.322  -1.919  0.00  0.00    +0.071 C 
ENDBRANCH   7  17
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  N   LIG    1        1.560   0.974   0.077  0.00  0.00    -0.298 N 
ATOM     19  H   LIG    1        1.177   1.552  -0.665  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.947   0.780  -0.044  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        3.751   1.895  -0.312  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1        5.141   1.773  -0.411  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        5.759   0.535  -0.244  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1        4.971  -0.581   0.023  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        3.578  -0.457   0.125  0.00  0.00    +0.027 A 
BRANCH  23  26
ATOM     26  O   LIG    1        7.120   0.553  -0.367  0.00  0.00    -0.495 OA
ATOM     27  C   LIG    1        7.797  -0.687  -0.204  0.00  0.00    +0.277 C 
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 5