REMARK  Name = BDB046387
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.688  -0.612  -0.580  0.00  0.00    -0.045 A 
ATOM      2  C   LIG    1        1.542  -0.418  -1.361  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        0.251  -0.623  -0.835  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.105  -1.033   0.505  0.00  0.00    +0.132 A 
ATOM      5  C   LIG    1        1.257  -1.232   1.281  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        2.532  -1.027   0.744  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.888  -0.388  -1.783  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1       -2.142  -0.241  -1.241  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1       -2.260  -0.446  -0.255  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -0.688  -0.327  -2.993  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1       -3.311  -0.116  -2.072  0.00  0.00    +0.139 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -4.532   0.159  -1.236  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -4.808   1.459  -0.794  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1       -5.924   1.716   0.006  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -6.778   0.672   0.393  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1       -6.500  -0.629  -0.049  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -5.383  -0.885  -0.849  0.00  0.00    +0.006 A 
BRANCH  15  18
ATOM     18  C   LIG    1       -7.995   0.950   1.239  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1       -8.321  -0.089   2.060  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -7.848   2.031   2.055  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1       -9.105   1.195   0.490  0.00  0.00    -0.166 F 
ENDBRANCH  15  18
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   4  22
ATOM     22  O   LIG    1       -1.167  -1.235   0.980  0.00  0.00    -0.494 OA
ATOM     23  C   LIG    1       -1.323  -1.589   2.349  0.00  0.00    +0.277 C 
ENDBRANCH   4  22
BRANCH   1  24
ATOM     24  C   LIG    1        4.064  -0.383  -1.166  0.00  0.00    +0.060 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.787   0.836  -0.576  0.00  0.00    +0.159 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.216   2.125  -1.173  0.00  0.00    +0.318 C 
ATOM     27  O   LIG    1        3.118   2.577  -0.879  0.00  0.00    -0.250 OA
BRANCH  26  28
ATOM     28  O   LIG    1        5.012   2.740  -2.080  0.00  0.00    -0.480 OA
ATOM     29  H   LIG    1        5.875   2.276  -2.154  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  25  26
BRANCH  25  30
ATOM     30  S   LIG    1        6.609   0.719  -0.930  0.00  0.00    -0.146 S 
BRANCH  30  32
ATOM     31  C   LIG    1        7.247   0.275   1.732  0.00  0.00    +0.015 C 
ATOM     32  C   LIG    1        7.123  -0.428   0.392  0.00  0.00    +0.066 C 
ENDBRANCH  30  32
ENDBRANCH  25  30
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 11