REMARK  Name = BDB032632
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.191   0.901   2.874  0.00  0.00    +0.237 A 
ATOM      2  O   LIG    1       -1.780   1.772   1.920  0.00  0.00    -0.338 OA
ATOM      3  N   LIG    1       -0.610   1.315   1.352  0.00  0.00    -0.076 NA
ATOM      4  C   LIG    1       -0.294   0.172   1.987  0.00  0.00    +0.115 A 
ATOM      5  C   LIG    1       -1.275  -0.113   2.976  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        0.904  -0.600   1.641  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        1.706  -0.221   0.550  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        2.854  -0.950   0.200  0.00  0.00    -0.046 A 
ATOM      9  C   LIG    1        3.208  -2.069   0.960  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        2.424  -2.457   2.044  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        1.280  -1.729   2.382  0.00  0.00    +0.010 A 
BRANCH   8  12
ATOM     12  C   LIG    1        3.710  -0.511  -0.963  0.00  0.00    +0.040 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.762   0.516  -0.534  0.00  0.00    +0.040 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.617   0.954  -1.697  0.00  0.00    -0.047 A 
ATOM     15  C   LIG    1        5.226   2.036  -2.497  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        6.007   2.429  -3.585  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        7.182   1.742  -3.885  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        7.577   0.661  -3.099  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        6.797   0.267  -2.011  0.00  0.00    +0.003 A 
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   8  12
ENDBRANCH   4   6
BRANCH   1  20
ATOM     20  N   LIG    1       -3.390   1.082   3.669  0.00  0.00    -0.183 N 
ATOM     21  H   LIG    1       -3.818   2.004   3.603  0.00  0.00    +0.177 HD
BRANCH  20  22
ATOM     22  S   LIG    1       -4.544  -0.143   3.547  0.00  0.00    +0.075 S 
ATOM     23  O   LIG    1       -3.993  -1.353   4.121  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1       -5.788   0.420   4.028  0.00  0.00    -0.150 OA
BRANCH  22  30
ATOM     25  C   LIG    1       -5.153  -0.977  -2.446  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -5.021  -0.751  -0.963  0.00  0.00    -0.047 A 
ATOM     27  C   LIG    1       -5.608   0.369  -0.337  0.00  0.00    -0.046 A 
ATOM     28  C   LIG    1       -6.394   1.383  -1.123  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1       -5.456   0.541   1.048  0.00  0.00    +0.032 A 
ATOM     30  C   LIG    1       -4.722  -0.387   1.794  0.00  0.00    +0.109 A 
ATOM     31  C   LIG    1       -4.161  -1.508   1.185  0.00  0.00    +0.029 A 
ATOM     32  C   LIG    1       -4.306  -1.682  -0.191  0.00  0.00    +0.005 A 
ENDBRANCH  22  30
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7