REMARK  Name = BDB007916
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.330   1.652   0.873  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1        1.773   1.156   2.058  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        0.587   0.419   2.030  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -0.057   0.157   0.814  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1        0.507   0.640  -0.373  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        1.691   1.379  -0.343  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        3.625   2.423   0.899  0.00  0.00    +0.267 C 
BRANCH   7   8
ATOM      8  O   LIG    1        4.721   1.509   1.021  0.00  0.00    -0.460 OA
BRANCH   8  10
ATOM      9  O   LIG    1        4.984   1.539  -1.258  0.00  0.00    -0.250 OA
ATOM     10  C   LIG    1        5.323   1.146  -0.150  0.00  0.00    +0.313 C 
BRANCH  10  11
ATOM     11  C   LIG    1        6.407   0.137   0.141  0.00  0.00    +0.175 C 
BRANCH  11  12
ATOM     12  C   LIG    1        7.433   0.024  -0.954  0.00  0.00    +0.052 A 
ATOM     13  N   LIG    1        8.679   0.483  -0.672  0.00  0.00    -0.259 NA
ATOM     14  C   LIG    1        9.616   0.376  -1.641  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1        9.377  -0.178  -2.886  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        8.100  -0.651  -3.158  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        7.113  -0.553  -2.182  0.00  0.00    +0.024 A 
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  C   LIG    1       -1.362  -0.608   0.791  0.00  0.00    +0.060 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.554   0.291   1.137  0.00  0.00    +0.159 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.913   1.199  -0.040  0.00  0.00    +0.318 C 
ATOM     21  O   LIG    1       -3.655   0.906  -0.967  0.00  0.00    -0.250 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -2.273   2.396  -0.015  0.00  0.00    -0.480 OA
ATOM     23  H   LIG    1       -1.634   2.506   0.717  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  19  20
BRANCH  19  24
ATOM     24  S   LIG    1       -4.020  -0.662   1.724  0.00  0.00    -0.145 S 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.211  -1.894   0.383  0.00  0.00    +0.074 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.573  -2.599   0.442  0.00  0.00    +0.046 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -6.793  -1.727   0.228  0.00  0.00    -0.046 A 
ATOM     28  C   LIG    1       -7.901  -1.864   1.080  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1       -9.045  -1.087   0.889  0.00  0.00    +0.038 A 
ATOM     30  C   LIG    1       -9.087  -0.177  -0.159  0.00  0.00    +0.123 A 
ATOM     31  F   LIG    1      -10.185   0.569  -0.342  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -8.008  -0.032  -1.021  0.00  0.00    +0.038 A 
ATOM     33  C   LIG    1       -6.864  -0.810  -0.832  0.00  0.00    +0.006 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  19  24
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 13