REMARK  Name = BDB022015
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.167  -1.593  -0.012  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -1.309  -0.965   0.892  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1       -1.494   0.403   1.384  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -0.171   1.155   1.445  0.00  0.00    +0.032 C 
ATOM      5  C   LIG    1        0.823   0.455   2.380  0.00  0.00    +0.078 C 
ATOM      6  C   LIG    1        0.661  -1.074   2.404  0.00  0.00    +0.032 C 
ATOM      7  C   LIG    1       -0.035  -1.622   1.164  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1       -1.842  -2.585  -0.662  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -6.129  -0.087  -0.608  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1       -5.282  -0.322  -1.696  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -3.990  -0.814  -1.500  0.00  0.00    +0.016 A 
ATOM     12  C   LIG    1       -3.534  -1.055  -0.203  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1       -4.382  -0.846   0.890  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1       -5.677  -0.355   0.686  0.00  0.00    +0.046 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -8.282   0.617   0.120  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -7.364   0.395  -0.944  0.00  0.00    -0.495 OA
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1        2.265   0.876   2.088  0.00  0.00    +0.220 C 
ATOM     18  N   LIG    1        2.727   0.488   0.844  0.00  0.00    -0.285 N 
ATOM     19  H   LIG    1        2.063   0.019   0.249  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1        2.892   1.504   2.937  0.00  0.00    -0.275 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.011   0.695   0.276  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1        4.258   0.234  -1.046  0.00  0.00    -0.026 A 
ATOM     23  C   LIG    1        3.167  -0.462  -1.827  0.00  0.00    +0.046 C 
ATOM     24  C   LIG    1        5.539   0.429  -1.624  0.00  0.00    -0.046 A 
ATOM     25  C   LIG    1        5.875  -0.034  -3.017  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        6.540   1.075  -0.885  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        6.291   1.523   0.406  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        5.036   1.333   0.981  0.00  0.00    +0.023 A 
ENDBRANCH  18  21
ENDBRANCH   5  17
TORSDOF 4