REMARK  Name = BDB002771
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.763   1.308  -0.012  0.00  0.00    -0.278 N 
ATOM      2  H   LIG    1        1.986   2.119   0.565  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        2.857   0.764  -0.659  0.00  0.00    +0.303 C 
ATOM      4  O   LIG    1        2.881  -0.190  -1.418  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -2.305   0.179  -0.070  0.00  0.00    +0.059 A 
ATOM      6  C   LIG    1       -1.376  -0.553  -0.818  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1       -0.021  -0.199  -0.817  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1        0.424   0.891  -0.067  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1       -0.505   1.623   0.682  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -1.861   1.272   0.683  0.00  0.00    +0.017 A 
BRANCH   5  11
ATOM     11  C   LIG    1       -3.732  -0.243  -0.108  0.00  0.00    +0.339 C 
ATOM     12  O   LIG    1       -4.134  -1.199  -0.751  0.00  0.00    -0.245 OA
BRANCH  11  13
ATOM     13  O   LIG    1       -4.490   0.575   0.665  0.00  0.00    -0.461 OA
BRANCH  13  14
ATOM     14  C   LIG    1       -5.893   0.268   0.708  0.00  0.00    +0.232 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -6.168  -0.759   1.802  0.00  0.00    +0.041 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -7.930  -2.091   3.010  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -7.658  -1.071   1.917  0.00  0.00    -0.000 C 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   5  11
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  C   LIG    1        4.148   1.549  -0.302  0.00  0.00    +0.300 C 
ATOM     19  N   LIG    1        5.367   1.128  -0.767  0.00  0.00    -0.300 N 
ATOM     20  H   LIG    1        6.132   1.765  -0.582  0.00  0.00    +0.150 HD
ATOM     21  O   LIG    1        4.042   2.546   0.409  0.00  0.00    -0.265 OA
BRANCH  19  22
ATOM     22  C   LIG    1        5.610   0.060  -1.714  0.00  0.00    +0.179 C 
BRANCH  22  23
ATOM     23  C   LIG    1        7.074  -0.066  -1.927  0.00  0.00    +0.122 A 
ATOM     24  O   LIG    1        7.729   1.052  -2.361  0.00  0.00    -0.466 OA
ATOM     25  C   LIG    1        9.039   0.719  -2.488  0.00  0.00    +0.195 A 
ATOM     26  C   LIG    1        9.238  -0.596  -2.139  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1        7.968  -1.105  -1.775  0.00  0.00    +0.046 A 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   3  18
TORSDOF 9