REMARK  Name = BDB015501
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.203  -0.194  -0.232  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1        0.388   1.109  -0.530  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.702   1.816  -0.859  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.945   1.325  -0.974  0.00  0.00    -0.178 NA
ATOM      5  C   LIG    1       -2.074   0.038  -0.650  0.00  0.00    +0.145 A 
ATOM      6  C   LIG    1       -1.038  -0.790  -0.300  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1        2.519  -3.824   2.495  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1        2.493  -2.732   1.475  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.794  -2.401   0.809  0.00  0.00    +0.254 A 
ATOM     10  O   LIG    1        4.807  -3.037   1.091  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1        3.757  -1.351  -0.109  0.00  0.00    -0.314 N 
ATOM     12  C   LIG    1        2.588  -0.667  -0.409  0.00  0.00    +0.099 A 
ATOM     13  C   LIG    1        1.406  -0.973   0.158  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        1.389  -2.040   1.148  0.00  0.00    +0.020 A 
BRANCH  11  15
ATOM     15  C   LIG    1        4.999  -0.944  -0.771  0.00  0.00    +0.127 C 
BRANCH  15  16
ATOM     16  C   LIG    1        5.628   0.324  -0.159  0.00  0.00    +0.003 C 
ATOM     17  C   LIG    1        6.097   0.099   1.279  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1        6.803   0.788  -1.022  0.00  0.00    +0.009 C 
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   1  13
BRANCH   5  19
ATOM     19  N   LIG    1       -3.409  -0.410  -0.821  0.00  0.00    -0.203 N 
ATOM     20  H   LIG    1       -3.937   0.395  -1.167  0.00  0.00    +0.175 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -4.173  -0.973   0.581  0.00  0.00    +0.047 S 
ATOM     22  O   LIG    1       -3.247  -1.767   1.359  0.00  0.00    -0.155 OA
ATOM     23  O   LIG    1       -4.854   0.170   1.148  0.00  0.00    -0.155 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -5.411  -2.078  -0.127  0.00  0.00    +0.145 C 
ATOM     25  C   LIG    1       -6.303  -2.633   0.980  0.00  0.00    +0.033 C 
ATOM     26  C   LIG    1       -4.767  -3.210  -0.919  0.00  0.00    +0.033 C 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   5  19
BRANCH   3  27
ATOM     27  O   LIG    1       -0.464   3.142  -1.193  0.00  0.00    -0.421 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -1.516   4.007  -1.015  0.00  0.00    +0.167 A 
ATOM     29  C   LIG    1       -2.123   4.196   0.231  0.00  0.00    +0.168 A 
ATOM     30  F   LIG    1       -1.698   3.512   1.302  0.00  0.00    -0.202 F 
ATOM     31  C   LIG    1       -3.165   5.101   0.382  0.00  0.00    +0.080 A 
ATOM     32  C   LIG    1       -3.583   5.833  -0.722  0.00  0.00    +0.126 A 
ATOM     33  F   LIG    1       -4.586   6.710  -0.589  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1       -2.973   5.678  -1.965  0.00  0.00    +0.042 A 
ATOM     35  C   LIG    1       -1.927   4.766  -2.113  0.00  0.00    +0.052 A 
ENDBRANCH  27  28
ENDBRANCH   3  27
TORSDOF 8