REMARK  Name = BDB015677
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.073  -0.895   0.021  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.554  -0.323   1.109  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.221  -0.373   1.196  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.597  -0.939   0.292  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.022  -1.470  -0.805  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        1.343  -1.478  -0.986  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.936  -2.060  -1.813  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.026  -2.725  -1.382  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.931  -3.313  -2.255  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -4.071  -4.022  -1.696  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.778  -3.255  -3.638  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -3.533  -3.768  -4.457  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -1.595  -2.496  -4.120  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -0.742  -1.939  -3.250  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        3.479  -0.784  -0.072  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1        3.963  -1.543  -0.547  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        4.037   0.692  -0.653  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1        3.059   1.198  -1.593  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        5.393   0.424  -1.088  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.100   1.742   0.828  0.00  0.00    +0.148 C 
ATOM     21  C   LIG    1        4.824   1.028   1.970  0.00  0.00    +0.033 C 
BRANCH  20  23
ATOM     22  C   LIG    1        4.017   3.992  -0.405  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1        4.798   3.081   0.532  0.00  0.00    +0.024 C 
ENDBRANCH  20  23
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  24
ATOM     24  O   LIG    1       -0.312   0.183   2.352  0.00  0.00    -0.419 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -1.674   0.356   2.343  0.00  0.00    +0.185 A 
ATOM     26  C   LIG    1       -2.212   1.502   1.757  0.00  0.00    +0.170 A 
ATOM     27  F   LIG    1       -1.392   2.403   1.193  0.00  0.00    -0.201 F 
ATOM     28  C   LIG    1       -3.592   1.731   1.745  0.00  0.00    -0.012 A 
ATOM     29  C   LIG    1       -4.144   2.954   1.079  0.00  0.00    +0.047 C 
ATOM     30  C   LIG    1       -4.437   0.782   2.334  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1       -3.903  -0.361   2.938  0.00  0.00    +0.024 A 
ATOM     32  C   LIG    1       -2.522  -0.571   2.948  0.00  0.00    +0.086 A 
ATOM     33 CL   LIG    1       -1.907  -1.993   3.707  0.00  0.00    -0.080 Cl
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 7