REMARK  Name = BDB063640
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.337   0.063  -0.724  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -1.464  -0.165   0.035  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1       -1.288  -0.557   0.963  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.330   0.396  -1.903  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  15
ATOM      5  C   LIG    1        7.217  -0.579   1.620  0.00  0.00    +0.120 A 
ATOM      6  C   LIG    1        6.805   0.071   0.458  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1        5.437   0.150   0.101  0.00  0.00    -0.033 A 
ATOM      8  C   LIG    1        5.093   0.896  -1.173  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1        4.174   0.121  -2.116  0.00  0.00    +0.009 C 
ATOM     10  C   LIG    1        2.695   0.344  -1.815  0.00  0.00    +0.042 C 
ATOM     11  C   LIG    1        2.262  -0.049  -0.448  0.00  0.00    +0.032 A 
ATOM     12  C   LIG    1        3.032  -0.357   0.657  0.00  0.00    +0.171 A 
ATOM     13  O   LIG    1        2.202  -0.657   1.696  0.00  0.00    -0.354 OA
ATOM     14  N   LIG    1        0.887  -0.549   1.307  0.00  0.00    -0.073 NA
ATOM     15  C   LIG    1        0.913  -0.171   0.018  0.00  0.00    +0.172 A 
ATOM     16  C   LIG    1        4.464  -0.421   0.948  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        4.902  -1.074   2.116  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        6.257  -1.152   2.445  0.00  0.00    +0.046 A 
BRANCH   5  20
ATOM     19  C   LIG    1        9.526  -0.146   1.249  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        8.505  -0.719   2.055  0.00  0.00    -0.495 OA
ENDBRANCH   5  20
ENDBRANCH   1  15
BRANCH   2  21
ATOM     21  C   LIG    1       -2.785  -0.055  -0.296  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1       -3.818  -0.617   0.634  0.00  0.00    +0.293 A 
ATOM     23  O   LIG    1       -3.518  -1.135   1.701  0.00  0.00    -0.264 OA
ATOM     24  N   LIG    1       -5.062  -0.360   0.055  0.00  0.00    -0.216 N 
ATOM     25  N   LIG    1       -4.864   0.286  -1.200  0.00  0.00    -0.282 N 
ATOM     26  C   LIG    1       -5.538  -0.402  -2.319  0.00  0.00    +0.171 C 
ATOM     27  C   LIG    1       -3.473   0.487  -1.315  0.00  0.00    +0.059 A 
ATOM     28  C   LIG    1       -2.957   1.281  -2.471  0.00  0.00    +0.067 C 
BRANCH  24  29
ATOM     29  C   LIG    1       -6.297  -0.276   0.749  0.00  0.00    +0.067 A 
ATOM     30  C   LIG    1       -6.511  -1.007   1.926  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1       -7.729  -0.930   2.611  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -8.751  -0.116   2.132  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -8.555   0.624   0.970  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1       -7.338   0.544   0.286  0.00  0.00    +0.028 A 
ENDBRANCH  24  29
ENDBRANCH   2  21
TORSDOF 4