REMARK  Name = BDB015687
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.979   0.443  -0.633  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -1.131   1.112   0.511  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1       -0.113   0.999   1.371  0.00  0.00    +0.320 A 
ATOM      4  N   LIG    1        1.018   0.317   1.151  0.00  0.00    -0.195 NA
ATOM      5  C   LIG    1        1.127  -0.330  -0.027  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.136  -0.277  -0.981  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        2.379  -1.095  -0.261  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        3.526  -0.645   0.285  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        4.740  -1.294   0.108  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1        5.924  -0.726   0.733  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        4.860  -2.460  -0.642  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1        5.906  -3.068  -0.848  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        3.596  -2.981  -1.222  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        2.441  -2.331  -1.031  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1       -2.082   0.641  -1.504  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1       -2.705   1.295  -1.024  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1       -2.964  -0.759  -1.869  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1       -3.955  -0.905  -0.827  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1       -2.052  -1.828  -2.214  0.00  0.00    -0.155 OA
BRANCH  17  21
ATOM     20  C   LIG    1       -4.691  -1.309  -3.915  0.00  0.00    +0.030 C 
ATOM     21  C   LIG    1       -3.783  -0.227  -3.366  0.00  0.00    +0.185 C 
ENDBRANCH  17  21
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  22
ATOM     22  O   LIG    1       -0.152   1.663   2.576  0.00  0.00    -0.460 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -1.454   2.088   2.990  0.00  0.00    +0.171 C 
ATOM     24  C   LIG    1       -1.475   2.014   4.515  0.00  0.00    +0.052 C 
ATOM     25  C   LIG    1       -1.697   3.523   2.533  0.00  0.00    +0.052 C 
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 6