REMARK  Name = BDB023235
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.195   2.010  -0.131  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1        2.495   1.414  -0.575  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        3.007   2.291   1.228  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1        3.838   2.846   1.931  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.716   1.838   1.699  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        0.875   1.186   0.832  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -0.247   0.856   1.529  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1       -0.143   1.288   2.843  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1       -1.208   1.028   3.716  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -2.332   0.346   3.218  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -2.421  -0.072   1.880  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1       -1.348   0.178   1.011  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        1.123   1.920   2.945  0.00  0.00    +0.063 A 
BRANCH  11  14
ATOM     14  N   LIG    1       -3.565  -0.764   1.422  0.00  0.00    -0.329 N 
ATOM     15  C   LIG    1       -4.034  -0.873   0.070  0.00  0.00    +0.113 C 
ATOM     16  C   LIG    1       -5.380  -1.362   0.652  0.00  0.00    -0.004 C 
ATOM     17  C   LIG    1       -6.611  -0.707   0.040  0.00  0.00    +0.014 C 
ATOM     18  C   LIG    1       -5.522  -2.883   0.722  0.00  0.00    +0.014 C 
ATOM     19  C   LIG    1       -4.894  -0.706   1.965  0.00  0.00    +0.113 C 
ENDBRANCH  11  14
ENDBRANCH   3   5
BRANCH   1  20
ATOM     20  S   LIG    1        4.708   1.933  -0.808  0.00  0.00    +0.078 S 
ATOM     21  O   LIG    1        5.196   3.286  -0.968  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1        5.474   0.910  -0.129  0.00  0.00    -0.150 OA
BRANCH  20  24
ATOM     23  C   LIG    1        3.509   0.237  -2.640  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1        4.390   1.303  -2.440  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1        5.054   1.884  -3.528  0.00  0.00    +0.032 A 
ATOM     26  C   LIG    1        4.823   1.403  -4.818  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        3.932   0.348  -5.020  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        3.269  -0.230  -3.935  0.00  0.00    +0.047 A 
BRANCH  23  29
ATOM     29  O   LIG    1        2.805  -0.274  -1.583  0.00  0.00    -0.490 OA
BRANCH  29  31
ATOM     30  C   LIG    1        2.703  -1.981   0.076  0.00  0.00    +0.048 C 
ATOM     31  C   LIG    1        3.102  -1.658  -1.352  0.00  0.00    +0.226 C 
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 6