REMARK  Name = BDB041480
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.236  -1.196  -1.324  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1        0.057  -0.683  -1.156  0.00  0.00    -0.181 N 
ATOM      3  H   LIG    1        0.536  -0.785  -0.265  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -1.721  -1.487  -2.405  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -3.920  -2.432   1.036  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1       -3.618  -1.734   2.217  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -2.516  -0.859   2.240  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -1.722  -0.677   1.106  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -2.022  -1.372  -0.070  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1       -3.119  -2.249  -0.096  0.00  0.00    +0.059 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -5.408  -3.906  -0.114  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -5.016  -3.254   1.089  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
BRANCH   6  13
ATOM     13  C   LIG    1       -4.498  -1.834   3.443  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -5.430  -0.717   3.495  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1       -5.129   0.382   4.220  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1       -6.151   1.208   3.973  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1       -7.109   0.642   3.115  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1       -6.627  -0.614   2.840  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1        1.083  -0.421  -2.448  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1        0.532   0.654  -3.244  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        1.466  -1.692  -3.021  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1        2.540   0.220  -1.655  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1        3.120  -0.452  -0.579  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1        4.265   0.071   0.022  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1        4.836   1.248  -0.473  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        4.276   1.941  -1.562  0.00  0.00    -0.014 A 
ATOM     27  C   LIG    1        3.110   1.406  -2.138  0.00  0.00    +0.039 A 
BRANCH  26  28
ATOM     28  C   LIG    1        4.883   3.229  -2.081  0.00  0.00    +0.094 C 
ATOM     29  C   LIG    1        6.343   3.294  -2.467  0.00  0.00    +0.043 C 
ATOM     30  C   LIG    1        5.298   3.292  -3.537  0.00  0.00    +0.043 C 
BRANCH  28  31
ATOM     31  O   LIG    1        4.297   4.469  -1.614  0.00  0.00    -0.372 OA
ATOM     32  C   LIG    1        4.562   4.761  -0.247  0.00  0.00    +0.195 C 
ENDBRANCH  28  31
ENDBRANCH  26  28
BRANCH  23  33
ATOM     33  O   LIG    1        2.513  -1.551  -0.033  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1        3.291  -2.729  -0.270  0.00  0.00    +0.277 C 
ENDBRANCH  23  33
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 9