REMARK  Name = BDB058337
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        2.041   2.535   1.497  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1        2.997   3.054   0.545  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        1.456   3.384   2.514  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   8
ATOM      4  C   LIG    1       -1.409   0.630  -0.831  0.00  0.00    +0.123 A 
ATOM      5  C   LIG    1       -0.152   0.793  -1.446  0.00  0.00    -0.007 A 
ATOM      6  C   LIG    1        0.074   0.345  -2.864  0.00  0.00    +0.047 C 
ATOM      7  C   LIG    1        0.899   1.388  -0.732  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1        0.703   1.790   0.591  0.00  0.00    +0.109 A 
ATOM      9  C   LIG    1       -0.542   1.639   1.202  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1       -1.593   1.054   0.490  0.00  0.00    +0.048 A 
BRANCH   4  11
ATOM     11  O   LIG    1       -2.368   0.034  -1.605  0.00  0.00    -0.492 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -3.727   0.046  -1.165  0.00  0.00    +0.229 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -4.037  -1.223  -0.372  0.00  0.00    +0.041 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -5.921  -0.286   1.063  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1       -5.502  -1.337   0.047  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        2.718   1.222   2.321  0.00  0.00    -0.216 N 
ATOM     17  H   LIG    1        2.281   1.080   3.229  0.00  0.00    +0.174 HD
BRANCH  16  18
ATOM     18  C   LIG    1        3.128   0.074   1.587  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        4.181   0.146   0.675  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1        4.540  -0.988  -0.063  0.00  0.00    +0.061 A 
ATOM     21  C   LIG    1        3.838  -2.188   0.118  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        2.787  -2.255   1.033  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        2.433  -1.124   1.769  0.00  0.00    +0.024 A 
BRANCH  20  24
ATOM     24  C   LIG    1        5.649  -0.968  -1.046  0.00  0.00    +0.337 C 
ATOM     25  O   LIG    1        6.002  -1.906  -1.737  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1        6.263   0.224  -1.115  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1        6.960   0.101  -1.792  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  20  24
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 9