REMARK  Name = BDB061607
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.731   2.716   1.101  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -3.264   2.153  -0.211  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1       -3.962   1.142  -0.893  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -3.540   0.719  -2.164  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -4.309  -0.278  -2.981  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -2.336   1.220  -2.683  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -1.586   2.174  -1.985  0.00  0.00    -0.025 A 
ATOM      8  C   LIG    1       -2.061   2.634  -0.751  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   3   9
ATOM      9  O   LIG    1       -5.109   0.627  -0.345  0.00  0.00    -0.475 OA
BRANCH   9  10
ATOM     10  C   LIG    1       -4.935  -0.571   0.434  0.00  0.00    +0.200 C 
ATOM     11  C   LIG    1       -5.906  -1.616  -0.149  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -5.445  -0.264   1.855  0.00  0.00    +0.067 C 
BRANCH  10  13
ATOM     13  C   LIG    1       -3.533  -1.234   0.527  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -3.122  -2.171  -0.142  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -2.717  -0.668   1.444  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -1.859  -1.119   1.308  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   3   9
BRANCH   7  17
ATOM     17  C   LIG    1       -0.276   2.676  -2.542  0.00  0.00    +0.184 C 
BRANCH  17  18
ATOM     18  N   LIG    1        0.803   1.750  -2.296  0.00  0.00    -0.208 N 
ATOM     19  C   LIG    1        1.556   1.672  -1.115  0.00  0.00    +0.351 A 
ATOM     20  O   LIG    1        1.471   2.452  -0.178  0.00  0.00    -0.244 OA
ATOM     21  N   LIG    1        2.357   0.551  -1.270  0.00  0.00    -0.250 N 
ATOM     22  C   LIG    1        2.009   0.049  -2.477  0.00  0.00    +0.230 A 
ATOM     23  N   LIG    1        1.098   0.701  -3.129  0.00  0.00    -0.157 NA
BRANCH  21  24
ATOM     24  C   LIG    1        3.308   0.026  -0.360  0.00  0.00    +0.052 A 
ATOM     25  C   LIG    1        3.572   0.650   0.866  0.00  0.00    +0.026 A 
ATOM     26  C   LIG    1        4.513   0.128   1.765  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1        5.223  -1.038   1.467  0.00  0.00    -0.045 A 
ATOM     28  C   LIG    1        4.968  -1.667   0.245  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1        4.026  -1.144  -0.653  0.00  0.00    +0.026 A 
BRANCH  27  30
ATOM     30  C   LIG    1        6.237  -1.584   2.456  0.00  0.00    +0.013 C 
ATOM     31  C   LIG    1        5.848  -2.981   2.948  0.00  0.00    +0.012 C 
ATOM     32  C   LIG    1        7.650  -1.588   1.867  0.00  0.00    +0.012 C 
ENDBRANCH  27  30
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 8