REMARK  Name = BDB053025
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.848   2.611   2.549  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -3.020   1.717   1.403  0.00  0.00    -0.307 N 
ATOM      3  C   LIG    1       -1.839   1.148   0.826  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1       -1.697   0.768  -0.507  0.00  0.00    +0.163 A 
ATOM      5  N   LIG    1       -0.502   0.347  -1.004  0.00  0.00    -0.195 NA
ATOM      6  C   LIG    1        0.562   0.263  -0.196  0.00  0.00    +0.221 A 
ATOM      7  N   LIG    1        0.514   0.595   1.092  0.00  0.00    -0.220 NA
ATOM      8  N   LIG    1       -2.789   0.841  -1.409  0.00  0.00    -0.326 N 
ATOM      9  C   LIG    1       -2.365   0.887  -2.812  0.00  0.00    +0.151 C 
ATOM     10  C   LIG    1       -3.980   0.144  -1.121  0.00  0.00    +0.056 A 
ATOM     11  C   LIG    1       -4.696   0.404   0.054  0.00  0.00    +0.063 A 
ATOM     12  C   LIG    1       -5.882  -0.305   0.343  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -6.358  -1.288  -0.519  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.659  -1.562  -1.684  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -4.490  -0.854  -1.980  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -0.670   1.032   1.564  0.00  0.00    +0.144 A 
ATOM     17  C   LIG    1       -4.340   1.488   0.998  0.00  0.00    +0.261 A 
ATOM     18  O   LIG    1       -5.288   2.102   1.498  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   6  19
ATOM     19  N   LIG    1        1.728  -0.193  -0.803  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1        1.532  -0.396  -1.772  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.024  -0.458  -0.348  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        3.436  -0.289   0.979  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        4.751  -0.562   1.375  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1        5.679  -0.999   0.430  0.00  0.00    +0.105 A 
ATOM     25  C   LIG    1        5.297  -1.185  -0.897  0.00  0.00    +0.030 A 
ATOM     26  C   LIG    1        3.979  -0.909  -1.277  0.00  0.00    +0.025 A 
BRANCH  24  27
ATOM     27  S   LIG    1        7.331  -1.374   0.932  0.00  0.00    +0.056 S 
ATOM     28  O   LIG    1        7.345  -1.674   2.345  0.00  0.00    -0.153 OA
ATOM     29  O   LIG    1        7.943  -2.239  -0.050  0.00  0.00    -0.153 OA
BRANCH  27  30
ATOM     30  N   LIG    1        8.090   0.115   0.768  0.00  0.00    -0.204 NA
ATOM     31  H   LIG    1        8.416   0.438   1.679  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1        8.826   0.052   0.064  0.00  0.00    +0.144 HD
ENDBRANCH  27  30
ENDBRANCH  24  27
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 4