REMARK  Name = BDB058333
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        1.614  -0.383   3.212  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1        1.091  -1.237   4.258  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        2.036   0.973   3.492  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   8
ATOM      4  C   LIG    1       -1.503  -0.250  -0.137  0.00  0.00    +0.123 A 
ATOM      5  C   LIG    1       -1.410  -1.383   0.696  0.00  0.00    -0.007 A 
ATOM      6  C   LIG    1       -2.336  -2.554   0.505  0.00  0.00    +0.047 C 
ATOM      7  C   LIG    1       -0.456  -1.415   1.725  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1        0.403  -0.330   1.910  0.00  0.00    +0.109 A 
ATOM      9  C   LIG    1        0.300   0.803   1.102  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1       -0.650   0.837   0.078  0.00  0.00    +0.048 A 
BRANCH   4  11
ATOM     11  O   LIG    1       -2.466  -0.318  -1.108  0.00  0.00    -0.492 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -2.603   0.749  -2.044  0.00  0.00    +0.229 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -3.494   1.876  -1.517  0.00  0.00    +0.041 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -5.332   0.459  -0.422  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1       -4.984   1.525  -1.448  0.00  0.00    -0.000 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   4  11
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  N   LIG    1        2.891  -1.235   2.504  0.00  0.00    -0.216 N 
ATOM     17  H   LIG    1        2.794  -2.240   2.640  0.00  0.00    +0.174 HD
BRANCH  16  18
ATOM     18  C   LIG    1        3.434  -0.776   1.273  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1        3.263  -1.551   0.125  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        3.755  -1.097  -1.102  0.00  0.00    +0.017 A 
ATOM     21  C   LIG    1        4.422   0.133  -1.183  0.00  0.00    +0.059 A 
ATOM     22  C   LIG    1        4.594   0.903  -0.027  0.00  0.00    +0.017 A 
ATOM     23  C   LIG    1        4.099   0.448   1.199  0.00  0.00    +0.025 A 
BRANCH  21  24
ATOM     24  C   LIG    1        4.925   0.574  -2.507  0.00  0.00    +0.337 C 
ATOM     25  O   LIG    1        4.809  -0.040  -3.551  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1        5.546   1.764  -2.459  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1        5.825   1.925  -3.385  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  21  24
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 9