REMARK  Name = BDB015599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.436  -1.229   0.481  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1       -0.693  -0.071  -0.158  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.358   0.584  -0.680  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1        1.625   0.163  -0.645  0.00  0.00    -0.178 NA
ATOM      5  C   LIG    1        1.819  -1.006  -0.035  0.00  0.00    +0.145 A 
ATOM      6  C   LIG    1        0.835  -1.753   0.565  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1       -5.129  -2.472   0.126  0.00  0.00    +0.152 C 
ATOM      8  N   LIG    1       -3.909  -2.539   0.913  0.00  0.00    -0.318 N 
ATOM      9  C   LIG    1       -3.915  -3.233   2.120  0.00  0.00    +0.251 A 
ATOM     10  O   LIG    1       -4.880  -3.824   2.594  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1       -2.630  -3.232   2.866  0.00  0.00    +0.071 A 
ATOM     12  C   LIG    1       -1.553  -2.611   2.367  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1       -1.598  -1.926   1.083  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1       -2.774  -1.907   0.425  0.00  0.00    +0.098 A 
ENDBRANCH   1  13
BRANCH   5  15
ATOM     15  N   LIG    1        3.174  -1.402   0.028  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        3.350  -2.404  -0.001  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        4.057  -0.707   1.275  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        5.241  -1.534   1.401  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        3.184  -0.514   2.413  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.560   0.881   0.618  0.00  0.00    +0.191 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.275   0.765  -0.721  0.00  0.00    +0.058 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.834   2.105  -1.154  0.00  0.00    +0.215 C 
ATOM     23  F   LIG    1        4.817   2.999  -1.257  0.00  0.00    -0.249 F 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   3  24
ATOM     24  O   LIG    1        0.155   1.780  -1.358  0.00  0.00    -0.419 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -1.093   2.332  -1.215  0.00  0.00    +0.185 A 
ATOM     26  C   LIG    1       -2.078   2.151  -2.188  0.00  0.00    +0.086 A 
ATOM     27 CL   LIG    1       -1.788   1.195  -3.595  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1       -3.333   2.746  -2.029  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1       -3.602   3.529  -0.902  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -2.614   3.720   0.063  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -1.366   3.126  -0.102  0.00  0.00    +0.167 A 
ATOM     32  F   LIG    1       -0.422   3.327   0.829  0.00  0.00    -0.202 F 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 8