REMARK  Name = BDB063941
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.864  -0.199  -0.560  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1        0.727  -0.887  -1.715  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -0.119  -1.153  -2.180  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        1.957  -1.199  -2.194  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        2.244  -1.815  -3.200  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        2.857  -0.601  -1.173  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        4.190  -0.697  -1.261  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        2.097  -0.000  -0.193  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        5.174  -0.162  -0.307  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        6.362  -0.885  -0.106  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        7.330  -0.372   0.777  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        7.151   0.839   1.448  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        8.191   1.216   2.284  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        9.135   0.304   2.243  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.965   1.562   1.226  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        8.856  -1.041   1.222  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        4.995   1.059   0.349  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -0.178   0.259   0.176  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1        0.135   0.689   1.042  0.00  0.00    +0.149 HD
BRANCH  18  27
ATOM     20  C   LIG    1       -4.482   1.200   2.446  0.00  0.00    +0.011 C 
ATOM     21  C   LIG    1       -3.826   0.510   1.245  0.00  0.00    -0.029 C 
ATOM     22  C   LIG    1       -4.375   1.099  -0.073  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1       -3.716   0.416  -1.293  0.00  0.00    -0.029 C 
ATOM     24  C   LIG    1       -4.004  -1.102  -1.228  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1       -3.457  -1.701   0.078  0.00  0.00    -0.008 C 
ATOM     26  C   LIG    1       -1.936  -1.485   0.141  0.00  0.00    +0.029 C 
ATOM     27  C   LIG    1       -1.607   0.021   0.073  0.00  0.00    +0.036 C 
ATOM     28  C   LIG    1       -4.273   1.005  -2.592  0.00  0.00    +0.011 C 
ATOM     29  C   LIG    1       -2.186   0.636  -1.219  0.00  0.00    +0.032 C 
ATOM     30  C   LIG    1       -2.296   0.716   1.279  0.00  0.00    +0.032 C 
ATOM     31  C   LIG    1       -4.122  -1.005   1.275  0.00  0.00    +0.010 C 
ENDBRANCH  18  27
ENDBRANCH   1  18
TORSDOF 3