REMARK  Name = BDB033767
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.339   0.688  -0.336  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1        0.904   0.184  -0.346  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1        1.856   0.889  -0.987  0.00  0.00    +0.231 A 
ATOM      4  C   LIG    1        1.631   2.093  -1.600  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.333   2.529  -1.539  0.00  0.00    +0.132 A 
ATOM      6  N   LIG    1       -0.655   1.850  -0.922  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.701   2.863  -2.274  0.00  0.00    +0.424 C 
ATOM      8  F   LIG    1        3.287   2.193  -3.304  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1        3.709   3.229  -1.435  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1        2.248   4.031  -2.818  0.00  0.00    -0.166 F 
ENDBRANCH   4   7
BRANCH   1  11
ATOM     11  N   LIG    1       -1.284  -0.091   0.325  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1       -0.831  -0.917   0.688  0.00  0.00    +0.155 HD
BRANCH  11  16
ATOM     13  C   LIG    1       -5.383   0.249   1.245  0.00  0.00    +0.105 A 
ATOM     14  C   LIG    1       -4.742   1.313   0.613  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -3.380   1.215   0.302  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1       -2.640   0.072   0.627  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1       -3.311  -0.982   1.274  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1       -4.671  -0.899   1.589  0.00  0.00    +0.030 A 
BRANCH  13  19
ATOM     19  S   LIG    1       -7.108   0.381   1.643  0.00  0.00    +0.058 S 
ATOM     20  O   LIG    1       -7.381   1.761   1.977  0.00  0.00    -0.153 OA
ATOM     21  O   LIG    1       -7.452  -0.704   2.534  0.00  0.00    -0.153 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -7.628  -1.166  -0.528  0.00  0.00    +0.127 C 
ATOM     23  N   LIG    1       -7.842   0.094   0.165  0.00  0.00    -0.193 NA
ATOM     24  H   LIG    1       -8.062   0.931  -0.371  0.00  0.00    +0.148 HD
ENDBRANCH  19  23
ENDBRANCH  13  19
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   3  25
ATOM     25  O   LIG    1        3.151   0.420  -0.986  0.00  0.00    -0.470 OA
BRANCH  25  26
ATOM     26  C   LIG    1        3.324  -0.970  -0.647  0.00  0.00    +0.206 C 
ATOM     27  C   LIG    1        4.443  -1.553  -1.540  0.00  0.00    +0.180 C 
ATOM     28  C   LIG    1        5.740  -0.732  -1.485  0.00  0.00    +0.194 C 
ATOM     29  O   LIG    1        6.655  -1.109  -0.465  0.00  0.00    -0.377 OA
ATOM     30  C   LIG    1        6.146  -1.378   0.833  0.00  0.00    +0.160 C 
ATOM     31  C   LIG    1        4.976  -0.513   1.290  0.00  0.00    +0.032 C 
ATOM     32  C   LIG    1        3.626  -1.089   0.851  0.00  0.00    +0.049 C 
BRANCH  27  33
ATOM     33  O   LIG    1        3.951  -1.580  -2.892  0.00  0.00    -0.386 OA
ATOM     34  H   LIG    1        4.642  -1.981  -3.447  0.00  0.00    +0.210 HD
ENDBRANCH  27  33
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8