REMARK  Name = BDB015440
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.661  -1.561  -0.021  0.00  0.00    +0.201 C 
ATOM      2  N   LIG    1        0.714  -1.236  -0.067  0.00  0.00    -0.172 N 
ATOM      3  C   LIG    1        1.435  -2.303   0.661  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1        0.371  -3.390   0.725  0.00  0.00    +0.166 C 
ATOM      5  N   LIG    1       -0.929  -2.734   0.463  0.00  0.00    -0.253 NA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -3.914   1.248  -0.076  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -3.921   0.071  -0.975  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1       -2.989  -1.081  -0.545  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1       -1.588  -0.638  -0.413  0.00  0.00    -0.300 N 
ATOM     10  C   LIG    1       -1.426   0.800  -0.143  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1       -2.630   1.343   0.657  0.00  0.00    +0.103 C 
BRANCH   6  13
ATOM     12  C   LIG    1       -6.354   1.641   0.175  0.00  0.00    +0.020 C 
ATOM     13  C   LIG    1       -5.043   1.274   0.861  0.00  0.00    +0.081 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  S   LIG    1        1.461  -0.733  -1.508  0.00  0.00    +0.077 S 
ATOM     15  O   LIG    1        0.766   0.388  -2.099  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        1.787  -1.913  -2.283  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1        3.000  -0.065  -0.893  0.00  0.00    +0.109 A 
ATOM     18  C   LIG    1        2.968   1.081  -0.093  0.00  0.00    +0.029 A 
ATOM     19  C   LIG    1        4.163   1.614   0.392  0.00  0.00    +0.014 A 
ATOM     20  C   LIG    1        5.394   1.015   0.073  0.00  0.00    +0.055 A 
ATOM     21  C   LIG    1        5.406  -0.137  -0.734  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1        4.213  -0.674  -1.223  0.00  0.00    +0.029 A 
BRANCH  20  23
ATOM     23  C   LIG    1        6.686   1.580   0.618  0.00  0.00    +0.417 C 
ATOM     24  F   LIG    1        7.751   1.367  -0.203  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1        7.020   1.030   1.817  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        6.636   2.926   0.823  0.00  0.00    -0.166 F 
ENDBRANCH  20  23
ENDBRANCH  14  17
ENDBRANCH   2  14
TORSDOF 5