REMARK  Name = BDB057636
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.072  -2.380   1.704  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.875  -1.228   1.326  0.00  0.00    +0.247 C 
ATOM      3  N   LIG    1        0.385  -0.720   1.035  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        0.641   0.512   0.278  0.00  0.00    +0.123 C 
ATOM      5  C   LIG    1        1.930   0.423  -0.562  0.00  0.00    +0.103 C 
ATOM      6  N   LIG    1        3.148   0.065   0.193  0.00  0.00    -0.299 NA
ATOM      7  C   LIG    1        2.844  -0.767   1.379  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1        1.546  -1.584   1.257  0.00  0.00    +0.123 C 
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -2.055  -0.346   1.178  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1       -3.138  -0.801   0.412  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -4.290  -0.015   0.263  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -4.315   1.235   0.903  0.00  0.00    +0.049 A 
ATOM     13  N   LIG    1       -5.428   2.061   0.754  0.00  0.00    -0.322 N 
ATOM     14  H   LIG    1       -5.466   2.962   1.212  0.00  0.00    +0.169 HD
ATOM     15  C   LIG    1       -6.516   1.741  -0.001  0.00  0.00    +0.253 A 
ATOM     16  C   LIG    1       -6.508   0.416  -0.698  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1       -7.742   0.195  -1.530  0.00  0.00    +0.110 C 
ATOM     18  S   LIG    1       -7.581  -1.142  -2.746  0.00  0.00    -0.156 S 
ATOM     19  C   LIG    1       -6.795  -2.349  -1.658  0.00  0.00    +0.074 C 
ATOM     20  C   LIG    1       -5.453  -1.824  -1.153  0.00  0.00    +0.047 C 
ATOM     21  O   LIG    1       -7.466   2.514  -0.089  0.00  0.00    -0.268 OA
ATOM     22  C   LIG    1       -3.248   1.682   1.690  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1       -5.468  -0.437  -0.540  0.00  0.00    -0.028 A 
ATOM     24  C   LIG    1       -2.117   0.884   1.837  0.00  0.00    +0.015 A 
ENDBRANCH   2   9
BRANCH   6  25
ATOM     25  C   LIG    1        3.951   1.253   0.538  0.00  0.00    +0.089 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.362   0.951   1.082  0.00  0.00    +0.050 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.348   0.535   0.015  0.00  0.00    -0.046 A 
ATOM     28  C   LIG    1        7.274   1.457  -0.495  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1        8.184   1.076  -1.484  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.176  -0.228  -1.974  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.259  -1.152  -1.477  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.349  -0.772  -0.489  0.00  0.00    +0.003 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   6  25
TORSDOF 4