REMARK  Name = BDB023233
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.502  -2.174   0.352  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -2.016  -3.036   0.556  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -1.846  -0.948   0.194  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -2.422   0.055  -0.200  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.432  -1.013   0.506  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        0.339   0.075   0.183  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        1.617  -0.195   0.558  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1        1.694  -1.456   1.128  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        2.943  -1.911   1.576  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        4.056  -1.065   1.429  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        3.953   0.214   0.857  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1        2.704   0.662   0.398  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        0.373  -1.977   1.093  0.00  0.00    +0.063 A 
BRANCH  11  14
ATOM     14  N   LIG    1        5.098   1.028   0.717  0.00  0.00    -0.329 N 
ATOM     15  C   LIG    1        6.307   0.990   1.491  0.00  0.00    +0.113 C 
ATOM     16  C   LIG    1        6.558   2.357   1.000  0.00  0.00    +0.002 C 
ATOM     17  C   LIG    1        7.412   3.414   1.615  0.00  0.00    +0.010 C 
ATOM     18  C   LIG    1        7.762   2.848   0.261  0.00  0.00    +0.010 C 
ATOM     19  C   LIG    1        5.149   2.457   0.577  0.00  0.00    +0.113 C 
ENDBRANCH  11  14
ENDBRANCH   3   5
BRANCH   1  20
ATOM     20  S   LIG    1       -4.147  -2.373   0.213  0.00  0.00    +0.078 S 
ATOM     21  O   LIG    1       -4.343  -3.807   0.285  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -4.756  -1.491   1.182  0.00  0.00    -0.150 OA
BRANCH  20  24
ATOM     23  C   LIG    1       -5.495  -0.970  -1.770  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1       -4.497  -1.890  -1.453  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1       -3.731  -2.474  -2.477  0.00  0.00    +0.032 A 
ATOM     26  C   LIG    1       -3.960  -2.127  -3.809  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -4.962  -1.212  -4.125  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -5.734  -0.645  -3.110  0.00  0.00    +0.047 A 
BRANCH  23  29
ATOM     29  O   LIG    1       -6.330  -0.451  -0.821  0.00  0.00    -0.490 OA
BRANCH  29  31
ATOM     30  C   LIG    1       -6.868   1.377   0.621  0.00  0.00    +0.048 C 
ATOM     31  C   LIG    1       -6.013   0.921  -0.548  0.00  0.00    +0.226 C 
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 6