REMARK  Name = BDB030275
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.031   0.049   1.199  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1        0.753   0.479   0.861  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.359   1.228  -0.329  0.00  0.00    +0.112 C 
ATOM      4  C   LIG    1       -1.121   1.388  -0.194  0.00  0.00    +0.024 C 
ATOM      5  C   LIG    1       -2.042   0.181  -0.186  0.00  0.00    +0.085 C 
ATOM      6  C   LIG    1       -1.546   0.803   1.105  0.00  0.00    +0.024 C 
ATOM      7  C   LIG    1       -0.336   0.278   1.802  0.00  0.00    +0.112 C 
ATOM      8  O   LIG    1        2.216  -0.554   2.261  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1        5.255   0.322  -0.542  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1        4.363   0.971  -1.347  0.00  0.00    -0.281 N 
ATOM     11  H   LIG    1        4.544   1.431  -2.234  0.00  0.00    +0.189 HD
ATOM     12  N   LIG    1        3.108   0.980  -0.875  0.00  0.00    -0.169 NA
ATOM     13  C   LIG    1        3.172   0.307   0.290  0.00  0.00    +0.147 A 
ATOM     14  C   LIG    1        4.511  -0.119   0.530  0.00  0.00    +0.057 A 
BRANCH   9  16
ATOM     15  C   LIG    1        7.578   0.886   0.166  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1        6.707   0.198  -0.886  0.00  0.00    +0.031 C 
ATOM     17  C   LIG    1        7.108  -1.268  -1.045  0.00  0.00    +0.014 C 
ENDBRANCH   9  16
ENDBRANCH   1  13
BRANCH   5  18
ATOM     18  C   LIG    1       -3.469   0.338  -0.586  0.00  0.00    +0.220 C 
ATOM     19  N   LIG    1       -4.383  -0.542  -0.002  0.00  0.00    -0.299 N 
ATOM     20  C   LIG    1       -4.010  -1.458   1.067  0.00  0.00    +0.132 C 
ATOM     21  O   LIG    1       -3.767   1.210  -1.395  0.00  0.00    -0.275 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -5.808  -0.375  -0.265  0.00  0.00    +0.034 C 
ATOM     23  C   LIG    1       -6.313  -0.512  -1.690  0.00  0.00    +0.028 C 
ATOM     24  C   LIG    1       -6.627  -1.581  -0.693  0.00  0.00    +0.028 C 
ATOM     25  C   LIG    1       -6.488   0.652   0.610  0.00  0.00    +0.032 C 
ENDBRANCH  19  22
ENDBRANCH   5  18
TORSDOF 4