REMARK  Name = BDB030277
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.967  -1.314  -0.940  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1        0.758  -1.010  -0.326  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.461  -1.632  -0.809  0.00  0.00    +0.113 C 
ATOM      4  C   LIG    1       -1.553  -1.063   0.035  0.00  0.00    +0.027 C 
ATOM      5  C   LIG    1       -1.959   0.415   0.031  0.00  0.00    +0.053 C 
ATOM      6  C   LIG    1       -1.484   1.332  -1.072  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -0.937  -0.138   1.028  0.00  0.00    +0.027 C 
ATOM      8  C   LIG    1        0.543  -0.120   0.809  0.00  0.00    +0.113 C 
ATOM      9  O   LIG    1        1.992  -2.089  -1.901  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        5.406  -0.202  -0.277  0.00  0.00    +0.039 A 
ATOM     11  N   LIG    1        4.646   0.410   0.680  0.00  0.00    -0.281 N 
ATOM     12  H   LIG    1        4.957   1.035   1.416  0.00  0.00    +0.189 HD
ATOM     13  N   LIG    1        3.338   0.123   0.604  0.00  0.00    -0.169 NA
ATOM     14  C   LIG    1        3.228  -0.711  -0.448  0.00  0.00    +0.147 A 
ATOM     15  C   LIG    1        4.513  -0.937  -1.023  0.00  0.00    +0.057 A 
BRANCH  10  17
ATOM     16  C   LIG    1        7.266   1.419  -0.675  0.00  0.00    +0.014 C 
ATOM     17  C   LIG    1        6.889  -0.035  -0.392  0.00  0.00    +0.031 C 
ATOM     18  C   LIG    1        7.606  -0.551   0.856  0.00  0.00    +0.014 C 
ENDBRANCH  10  17
ENDBRANCH   1  14
BRANCH   5  19
ATOM     19  C   LIG    1       -3.308   0.758   0.602  0.00  0.00    +0.220 C 
ATOM     20  N   LIG    1       -4.351   0.152  -0.054  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -4.118  -0.418  -0.856  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -3.398   1.524   1.549  0.00  0.00    -0.275 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -5.771   0.337   0.273  0.00  0.00    +0.026 C 
ATOM     24  C   LIG    1       -6.068  -0.117   1.711  0.00  0.00    +0.031 C 
ATOM     25  C   LIG    1       -6.187   1.804   0.086  0.00  0.00    +0.031 C 
ATOM     26  C   LIG    1       -6.600  -0.531  -0.691  0.00  0.00    +0.031 C 
ENDBRANCH  20  23
ENDBRANCH   5  19
TORSDOF 4