REMARK  Name = BDB015917
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.394  -2.377  -0.075  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.543  -1.388   0.251  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -0.767  -1.692   0.372  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1       -1.250  -2.985   0.173  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -0.291  -3.923  -0.153  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        1.026  -3.655  -0.277  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.617  -0.348  -0.325  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        3.264  -0.695  -0.180  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.823  -2.034  -0.223  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.802  -3.026  -0.416  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        5.153  -2.700  -0.554  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.558  -1.367  -0.507  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        4.733   4.584  -0.873  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.074   3.222  -0.545  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.270   2.954   0.006  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.252   1.626   0.158  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.043   1.040  -0.286  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.302   2.113  -0.739  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -2.664  -3.342   0.247  0.00  0.00    +0.097 A 
ATOM     20  N   LIG    1       -3.628  -2.440  -0.018  0.00  0.00    -0.171 NA
ATOM     21  N   LIG    1       -4.780  -3.118   0.122  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.034  -2.439  -0.103  0.00  0.00    +0.172 C 
ATOM     23  C   LIG    1       -4.602  -4.420   0.473  0.00  0.00    +0.108 A 
ATOM     24  C   LIG    1       -3.243  -4.603   0.562  0.00  0.00    +0.049 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -1.641  -0.663   0.809  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -2.567  -0.854   0.398  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.271   0.713   0.820  0.00  0.00    +0.075 C 
ATOM     28  C   LIG    1       -2.415   1.624   1.316  0.00  0.00    +0.048 C 
ATOM     29  C   LIG    1       -2.009   2.609   0.196  0.00  0.00    +0.134 C 
ATOM     30  C   LIG    1       -1.413   1.398  -0.558  0.00  0.00    +0.048 C 
BRANCH  29  31
ATOM     31  S   LIG    1       -3.349   3.443  -0.642  0.00  0.00    -0.031 S 
ATOM     32  O   LIG    1       -4.435   2.515  -0.900  0.00  0.00    -0.174 OA
ATOM     33  O   LIG    1       -2.801   4.243  -1.722  0.00  0.00    -0.174 OA
ATOM     34  C   LIG    1       -3.921   4.576   0.598  0.00  0.00    +0.194 C 
ENDBRANCH  29  31
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6