REMARK  Name = BDB034910
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.024  -2.168   0.524  0.00  0.00    -0.155 NA
ATOM      2  C   LIG    1       -1.144  -1.716   0.963  0.00  0.00    +0.154 C 
ATOM      3  N   LIG    1       -2.156  -0.914   0.446  0.00  0.00    -0.278 N 
ATOM      4  C   LIG    1       -3.187  -0.559   1.433  0.00  0.00    +0.124 C 
ATOM      5  C   LIG    1       -3.287  -1.726   2.403  0.00  0.00    +0.096 C 
ATOM      6  S   LIG    1       -1.568  -2.256   2.609  0.00  0.00    -0.091 S 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.869   0.199  -0.389  0.00  0.00    +0.080 A 
ATOM      8  C   LIG    1       -0.967   1.216  -0.019  0.00  0.00    +0.138 A 
ATOM      9  C   LIG    1       -0.682   2.282  -0.873  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -1.313   2.350  -2.114  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1       -2.216   1.357  -2.481  0.00  0.00    +0.125 A 
ATOM     12  F   LIG    1       -2.823   1.432  -3.674  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -2.501   0.291  -1.635  0.00  0.00    +0.065 A 
BRANCH   8  14
ATOM     14  O   LIG    1       -0.369   1.158   1.210  0.00  0.00    -0.505 OA
ATOM     15  H   LIG    1        0.461   1.667   1.173  0.00  0.00    +0.292 HD
ENDBRANCH   8  14
ENDBRANCH   3   7
BRANCH   1  17
ATOM     16  O   LIG    1       -0.342  -2.341  -1.738  0.00  0.00    -0.268 OA
ATOM     17  C   LIG    1        0.282  -1.903  -0.778  0.00  0.00    +0.271 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.464  -1.052  -0.932  0.00  0.00    +0.065 A 
ATOM     19  C   LIG    1        2.371  -0.528   0.051  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1        3.285   0.277  -0.624  0.00  0.00    +0.139 A 
ATOM     21  N   LIG    1        4.296   0.995  -0.102  0.00  0.00    -0.237 NA
ATOM     22  C   LIG    1        4.403   0.859   1.239  0.00  0.00    +0.113 A 
ATOM     23  C   LIG    1        3.574   0.089   2.041  0.00  0.00    +0.020 A 
ATOM     24  N   LIG    1        2.994   0.228  -1.957  0.00  0.00    -0.345 N 
ATOM     25  H   LIG    1        3.525   0.715  -2.664  0.00  0.00    +0.167 HD
ATOM     26  C   LIG    1        2.530  -0.622   1.447  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        1.898  -0.564  -2.160  0.00  0.00    +0.098 A 
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 4