REMARK  Name = BDB023312
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.611   0.356   0.756  0.00  0.00    +0.078 S 
ATOM      2  O   LIG    1       -0.284  -0.772   0.651  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        1.176   0.746   2.031  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   5
ATOM      4  C   LIG    1        1.749  -0.092  -1.732  0.00  0.00    +0.147 A 
ATOM      5  C   LIG    1        1.968   0.088  -0.362  0.00  0.00    +0.151 A 
ATOM      6  C   LIG    1        3.266   0.049   0.176  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1        4.375  -0.168  -0.648  0.00  0.00    -0.020 A 
ATOM      8  C   LIG    1        4.154  -0.332  -2.020  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        2.860  -0.295  -2.556  0.00  0.00    +0.048 A 
BRANCH   7  10
ATOM     10  C   LIG    1        5.741  -0.196  -0.088  0.00  0.00    -0.042 C 
ATOM     11  C   LIG    1        6.121   0.853   0.933  0.00  0.00    +0.051 C 
ATOM     12  C   LIG    1        7.641   0.916   1.171  0.00  0.00    +0.089 C 
ATOM     13  N   LIG    1        8.287  -0.400   1.293  0.00  0.00    -0.301 NA
ATOM     14  C   LIG    1        7.873  -1.103   2.506  0.00  0.00    +0.105 C 
ATOM     15  C   LIG    1        8.038  -1.204   0.089  0.00  0.00    +0.111 C 
ATOM     16  C   LIG    1        6.638  -1.129  -0.460  0.00  0.00    -0.008 C 
ENDBRANCH   7  10
BRANCH   4  18
ATOM     17  C   LIG    1        0.215  -0.470  -3.521  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        0.464  -0.031  -2.189  0.00  0.00    -0.493 OA
ENDBRANCH   4  18
ENDBRANCH   1   5
BRANCH   1  19
ATOM     19  N   LIG    1       -0.103   1.754   0.146  0.00  0.00    -0.179 N 
ATOM     20  H   LIG    1        0.544   2.515   0.351  0.00  0.00    +0.177 HD
ATOM     21  C   LIG    1       -1.357   2.152   0.660  0.00  0.00    +0.298 C 
ATOM     22  O   LIG    1       -1.401   3.194   1.300  0.00  0.00    -0.265 OA
BRANCH  21  23
ATOM     23  C   LIG    1       -2.514   1.374   0.274  0.00  0.00    +0.192 A 
ATOM     24  O   LIG    1       -3.702   1.651   0.906  0.00  0.00    -0.450 OA
ATOM     25  C   LIG    1       -4.651   0.828   0.385  0.00  0.00    +0.140 A 
ATOM     26  C   LIG    1       -4.099   0.023  -0.597  0.00  0.00    +0.056 A 
ATOM     27  C   LIG    1       -4.946  -0.881  -1.249  0.00  0.00    +0.136 A 
ATOM     28  C   LIG    1       -6.297  -0.952  -0.892  0.00  0.00    +0.062 A 
ATOM     29  C   LIG    1       -6.828  -0.134   0.117  0.00  0.00    +0.036 A 
ATOM     30  F   LIG    1       -4.478  -1.678  -2.220  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -5.992   0.790   0.768  0.00  0.00    +0.070 A 
ATOM     32  C   LIG    1       -2.729   0.382  -0.667  0.00  0.00    +0.066 A 
BRANCH  29  33
ATOM     33  N   LIG    1       -8.198  -0.214   0.455  0.00  0.00    -0.330 N 
ATOM     34  C   LIG    1       -8.804   0.155   1.704  0.00  0.00    +0.106 C 
ATOM     35  C   LIG    1      -10.033  -0.634   1.244  0.00  0.00    +0.038 C 
ATOM     36  C   LIG    1       -9.067  -1.347   0.293  0.00  0.00    +0.106 C 
ENDBRANCH  29  33
ENDBRANCH  21  23
ENDBRANCH   1  19
TORSDOF 6