REMARK  Name = BDB061313
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.561   0.631  -2.741  0.00  0.00    +0.183 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -0.439   1.207  -1.865  0.00  0.00    -0.276 N 
ATOM      3  C   LIG    1       -1.609   0.527  -1.504  0.00  0.00    +0.310 C 
ATOM      4  O   LIG    1       -1.980  -0.509  -2.033  0.00  0.00    -0.252 OA
ATOM      5  N   LIG    1       -2.219   1.263  -0.461  0.00  0.00    -0.254 N 
ATOM      6  C   LIG    1       -1.451   2.464  -0.196  0.00  0.00    +0.134 C 
ATOM      7  C   LIG    1       -0.129   2.238  -0.909  0.00  0.00    +0.129 C 
BRANCH   5   8
ATOM      8  C   LIG    1       -3.450   0.974   0.186  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1       -4.160  -0.209  -0.063  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1       -5.380  -0.497   0.582  0.00  0.00    -0.016 A 
ATOM     11  C   LIG    1       -5.911   0.425   1.506  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1       -7.127   0.138   2.149  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -7.811  -1.048   1.881  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -7.289  -1.960   0.969  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -5.208   1.608   1.760  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -6.082  -1.687   0.324  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1       -3.998   1.876   1.109  0.00  0.00    +0.024 A 
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  20
ATOM     18  C   LIG    1        3.417  -0.556  -0.914  0.00  0.00    +0.135 A 
ATOM     19  O   LIG    1        2.706   0.362  -1.638  0.00  0.00    -0.458 OA
ATOM     20  C   LIG    1        1.507  -0.204  -1.958  0.00  0.00    +0.123 A 
ATOM     21  C   LIG    1        1.438  -1.480  -1.444  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        2.664  -1.707  -0.774  0.00  0.00    +0.050 A 
BRANCH  18  25
ATOM     23  C   LIG    1        6.789  -0.586   0.792  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1        5.514  -0.979   0.357  0.00  0.00    +0.026 A 
ATOM     25  C   LIG    1        4.745  -0.140  -0.465  0.00  0.00    +0.018 A 
ATOM     26  C   LIG    1        5.285   1.100  -0.842  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1        6.554   1.496  -0.412  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        7.306   0.654   0.404  0.00  0.00    +0.015 A 
BRANCH  23  30
ATOM     29  O   LIG    1        8.732  -1.180   2.083  0.00  0.00    -0.245 OA
ATOM     30  C   LIG    1        7.623  -1.451   1.661  0.00  0.00    +0.337 C 
BRANCH  30  31
ATOM     31  O   LIG    1        7.027  -2.618   1.964  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1        7.683  -3.075   2.532  0.00  0.00    +0.295 HD
ENDBRANCH  30  31
ENDBRANCH  23  30
ENDBRANCH  18  25
ENDBRANCH   1  20
TORSDOF 6