REMARK  Name = BDB023352
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.721   1.788   1.120  0.00  0.00    +0.298 C 
ATOM      2  N   LIG    1       -0.361   0.913   0.943  0.00  0.00    -0.179 N 
ATOM      3  H   LIG    1       -0.187   0.084   0.381  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1        0.623   2.913   1.585  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        5.472   0.526  -0.101  0.00  0.00    +0.131 A 
ATOM      6  C   LIG    1        4.092   0.660   0.154  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1        3.242  -0.390  -0.161  0.00  0.00    +0.140 A 
ATOM      8  O   LIG    1        1.956  -0.078   0.160  0.00  0.00    -0.450 OA
ATOM      9  C   LIG    1        1.966   1.190   0.690  0.00  0.00    +0.192 A 
ATOM     10  C   LIG    1        3.656  -1.592  -0.726  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        5.026  -1.723  -0.994  0.00  0.00    -0.043 A 
ATOM     12  C   LIG    1        5.554  -3.005  -1.573  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1        3.259   1.675   0.701  0.00  0.00    +0.067 A 
ATOM     14  C   LIG    1        5.915  -0.682  -0.671  0.00  0.00    +0.049 A 
BRANCH   5  16
ATOM     15  C   LIG    1        7.654   1.484  -0.075  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        6.271   1.585   0.235  0.00  0.00    -0.494 OA
ENDBRANCH   5  16
ENDBRANCH   1   9
BRANCH   2  17
ATOM     17  S   LIG    1       -1.938   1.442   0.997  0.00  0.00    +0.075 S 
ATOM     18  O   LIG    1       -2.231   1.959   2.314  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1       -2.118   2.204  -0.218  0.00  0.00    -0.150 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -2.855  -0.089   0.854  0.00  0.00    +0.116 A 
ATOM     21  C   LIG    1       -4.070  -0.163   0.150  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1       -4.682  -1.428   0.045  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1       -4.122  -2.567   0.631  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -2.931  -2.478   1.351  0.00  0.00    -0.049 A 
ATOM     25  C   LIG    1       -2.366  -3.685   2.041  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -2.310  -1.231   1.475  0.00  0.00    +0.032 A 
BRANCH  21  27
ATOM     27  C   LIG    1       -4.777   0.993  -0.421  0.00  0.00    -0.016 A 
ATOM     28  C   LIG    1       -5.362   1.960   0.413  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -6.052   3.047  -0.128  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.174   3.179  -1.509  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.606   2.225  -2.351  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -4.914   1.139  -1.810  0.00  0.00    +0.008 A 
ENDBRANCH  21  27
ENDBRANCH  17  20
ENDBRANCH   2  17
TORSDOF 5