REMARK  Name = BDB033396
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.113   0.900   0.169  0.00  0.00    -0.214 N 
ATOM      2  H   LIG    1        0.206   1.244   1.127  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -4.306  -0.721   0.921  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -3.603   0.191   0.082  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1       -2.248   0.105   0.424  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1       -1.266   0.878  -0.219  0.00  0.00    +0.072 A 
ATOM      7  C   LIG    1       -1.679   1.773  -1.210  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -3.019   1.870  -1.575  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -2.148  -0.838   1.429  0.00  0.00    -0.358 N 
ATOM     10  H   LIG    1       -1.272  -1.150   1.837  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1       -3.988   1.087  -0.939  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -3.385  -1.338   1.739  0.00  0.00    +0.102 A 
BRANCH   3  14
ATOM     13  N   LIG    1       -6.857  -1.171   0.942  0.00  0.00    -0.191 NA
ATOM     14  C   LIG    1       -5.713  -0.973   0.932  0.00  0.00    +0.101 C 
ENDBRANCH   3  14
ENDBRANCH   1   6
BRANCH   1  15
ATOM     15  S   LIG    1        0.925  -0.587   0.043  0.00  0.00    +0.080 S 
ATOM     16  O   LIG    1        0.679  -1.172  -1.253  0.00  0.00    -0.149 OA
ATOM     17  O   LIG    1        0.657  -1.288   1.284  0.00  0.00    -0.149 OA
BRANCH  15  18
ATOM     18  C   LIG    1        2.644  -0.216   0.062  0.00  0.00    +0.166 A 
ATOM     19  S   LIG    1        3.726  -1.512   0.335  0.00  0.00    -0.043 S 
ATOM     20  C   LIG    1        5.064  -0.422   0.206  0.00  0.00    +0.183 A 
ATOM     21  N   LIG    1        4.725   0.837  -0.030  0.00  0.00    -0.242 NA
ATOM     22  C   LIG    1        3.351   0.948  -0.128  0.00  0.00    +0.148 A 
BRANCH  20  23
ATOM     23  C   LIG    1        6.461  -0.960   0.368  0.00  0.00    +0.441 C 
ATOM     24  F   LIG    1        7.414   0.001   0.235  0.00  0.00    -0.164 F 
ATOM     25  F   LIG    1        6.651  -1.523   1.593  0.00  0.00    -0.164 F 
ATOM     26  F   LIG    1        6.751  -1.921  -0.550  0.00  0.00    -0.164 F 
ENDBRANCH  20  23
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 5