REMARK  Name = BDB063128
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.617  -0.606  -2.160  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1       -3.866  -0.283  -0.831  0.00  0.00    +0.118 A 
ATOM      3  N   LIG    1       -2.886   0.125   0.018  0.00  0.00    -0.211 NA
ATOM      4  C   LIG    1       -1.630   0.182  -0.445  0.00  0.00    +0.221 A 
ATOM      5  N   LIG    1       -1.305  -0.089  -1.714  0.00  0.00    -0.219 NA
ATOM      6  C   LIG    1       -2.297  -0.484  -2.537  0.00  0.00    +0.162 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -5.206  -0.337  -0.207  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1       -5.666   0.743   0.573  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1       -6.934   0.712   1.188  0.00  0.00    +0.079 A 
ATOM     10  C   LIG    1       -7.734  -0.420   1.018  0.00  0.00    +0.039 A 
ATOM     11  S   LIG    1       -9.216  -0.194   1.868  0.00  0.00    -0.075 S 
ATOM     12  C   LIG    1       -8.678   1.350   2.375  0.00  0.00    +0.157 A 
ATOM     13  C   LIG    1       -7.307  -1.518   0.259  0.00  0.00    +0.018 A 
ATOM     14  N   LIG    1       -7.486   1.718   1.966  0.00  0.00    -0.247 NA
ATOM     15  C   LIG    1       -6.041  -1.457  -0.340  0.00  0.00    +0.011 A 
ENDBRANCH   2   7
BRANCH   1  17
ATOM     16  C   LIG    1       -4.348  -1.265  -4.325  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -4.652  -0.981  -2.965  0.00  0.00    -0.491 OA
ENDBRANCH   1  17
BRANCH   4  18
ATOM     18  N   LIG    1       -0.680   0.625   0.472  0.00  0.00    -0.268 N 
ATOM     19  H   LIG    1       -1.148   0.679   1.366  0.00  0.00    +0.156 HD
BRANCH  18  20
ATOM     20  C   LIG    1        0.646   0.181   0.590  0.00  0.00    +0.125 A 
ATOM     21  N   LIG    1        1.102  -0.873  -0.121  0.00  0.00    -0.239 NA
ATOM     22  C   LIG    1        2.396  -1.247   0.037  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1        3.287  -0.590   0.865  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1        2.815   0.478   1.620  0.00  0.00    +0.018 A 
ATOM     25  C   LIG    1        1.483   0.868   1.474  0.00  0.00    +0.044 A 
BRANCH  23  26
ATOM     26  C   LIG    1        4.673  -1.080   0.965  0.00  0.00    +0.248 C 
ATOM     27  N   LIG    1        5.722  -0.178   0.822  0.00  0.00    -0.295 N 
ATOM     28  C   LIG    1        7.087  -0.675   1.005  0.00  0.00    +0.123 C 
ATOM     29  C   LIG    1        8.075   0.468   1.292  0.00  0.00    +0.100 C 
ATOM     30  N   LIG    1        8.114   1.523   0.263  0.00  0.00    -0.313 NA
ATOM     31  H   LIG    1        8.286   2.418   0.719  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1        6.873   1.587  -0.524  0.00  0.00    +0.100 C 
ATOM     33  C   LIG    1        5.600   1.162   0.233  0.00  0.00    +0.123 C 
ATOM     34  O   LIG    1        4.838  -2.279   1.178  0.00  0.00    -0.270 OA
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   4  18
TORSDOF 5