REMARK  Name = BDB012832
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.210  -1.372  -0.754  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1        0.431  -1.214   0.551  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1       -0.953  -1.026   0.131  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -1.938  -0.805   1.081  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -1.652  -0.724   2.274  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -1.027  -0.744  -1.299  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        0.415  -0.487  -1.720  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        5.764  -2.926  -1.377  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1        4.852  -1.809  -0.970  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1        3.521  -2.043  -1.030  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1        2.676  -1.050  -0.664  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        3.140   0.194  -0.237  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        4.517   0.437  -0.174  0.00  0.00    -0.041 A 
ATOM     14  C   LIG    1        5.382  -0.593  -0.550  0.00  0.00    +0.027 A 
BRANCH  13  15
ATOM     15  C   LIG    1        5.076   1.770   0.286  0.00  0.00    +0.013 C 
ATOM     16  C   LIG    1        4.650   2.909  -0.643  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1        4.687   2.073   1.735  0.00  0.00    +0.012 C 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  18
ATOM     18  C   LIG    1       -3.297  -0.665   0.622  0.00  0.00    +0.121 A 
ATOM     19  N   LIG    1       -3.885  -1.384  -0.379  0.00  0.00    -0.272 N 
ATOM     20  H   LIG    1       -3.473  -2.125  -0.933  0.00  0.00    +0.189 HD
ATOM     21  N   LIG    1       -5.163  -1.052  -0.619  0.00  0.00    -0.178 NA
ATOM     22  C   LIG    1       -5.444  -0.143   0.323  0.00  0.00    +0.066 A 
ATOM     23  C   LIG    1       -4.313   0.118   1.133  0.00  0.00    +0.057 A 
BRANCH  22  24
ATOM     24  C   LIG    1       -6.819   0.453   0.415  0.00  0.00    +0.033 C 
ATOM     25  C   LIG    1       -6.794   1.966   0.190  0.00  0.00    +0.014 C 
ATOM     26  C   LIG    1       -7.488   0.121   1.751  0.00  0.00    +0.014 C 
ENDBRANCH  22  24
ENDBRANCH   4  18
TORSDOF 4