REMARK  Name = BDB041504
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.660   0.295   1.788  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1       -0.545   0.164   1.067  0.00  0.00    -0.180 N 
ATOM      3  H   LIG    1       -0.597  -0.496   0.296  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1        0.718   0.731   2.927  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        4.098  -0.916   1.206  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        4.216  -1.002  -0.186  0.00  0.00    -0.005 A 
ATOM      7  C   LIG    1        3.107  -0.608  -0.955  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        1.936  -0.170  -0.345  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        1.893  -0.138   1.040  0.00  0.00    +0.127 A 
ATOM     10  N   LIG    1        2.950  -0.508   1.807  0.00  0.00    -0.247 NA
BRANCH   5  12
ATOM     11  C   LIG    1        5.809   0.026   2.775  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1        5.210  -1.237   2.173  0.00  0.00    +0.052 C 
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1        5.459  -1.460  -0.909  0.00  0.00    +0.180 C 
BRANCH  13  14
ATOM     14  N   LIG    1        6.290  -0.339  -1.326  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.006   0.321  -2.469  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.967   1.245  -2.547  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        7.882   1.158  -1.483  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        7.428   0.110  -0.717  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1       -2.036   0.518   1.742  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -2.078   1.953   1.916  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.283  -0.417   2.820  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.173   0.072   0.461  0.00  0.00    +0.192 A 
ATOM     23  C   LIG    1       -4.324   0.812   0.251  0.00  0.00    +0.154 A 
ATOM     24  O   LIG    1       -4.724   1.907   0.972  0.00  0.00    -0.489 OA
ATOM     25  C   LIG    1       -6.109   2.098   0.604  0.00  0.00    +0.240 C 
ATOM     26  C   LIG    1       -6.324   1.500  -0.798  0.00  0.00    +0.028 C 
ATOM     27  C   LIG    1       -6.072   2.544  -1.894  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1       -7.721   0.897  -0.942  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1       -5.218   0.493  -0.772  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -4.991  -0.588  -1.609  0.00  0.00    +0.011 A 
ATOM     31  C   LIG    1       -3.852  -1.364  -1.393  0.00  0.00    +0.048 A 
ATOM     32  C   LIG    1       -2.960  -1.048  -0.352  0.00  0.00    +0.150 A 
BRANCH  32  33
ATOM     33  O   LIG    1       -1.837  -1.826  -0.205  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1       -2.172  -3.062   0.439  0.00  0.00    +0.277 C 
ENDBRANCH  32  33
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 7