REMARK  Name = BDB057863
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.294   2.345   2.321  0.00  0.00    +0.066 A 
ATOM      2  C   LIG    1       -1.039   1.219   1.535  0.00  0.00    +0.136 A 
ATOM      3  N   LIG    1       -2.011   0.342   1.214  0.00  0.00    -0.212 NA
ATOM      4  C   LIG    1       -3.248   0.568   1.698  0.00  0.00    +0.162 A 
ATOM      5  N   LIG    1       -3.580   1.596   2.498  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -2.590   2.463   2.785  0.00  0.00    +0.131 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.300  -0.417   1.391  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -4.593  -0.886   0.082  0.00  0.00    -0.034 A 
ATOM      9  C   LIG    1       -5.586  -1.878  -0.080  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -6.304  -2.377   1.006  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -6.046  -1.898   2.282  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.057  -0.932   2.468  0.00  0.00    +0.012 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -3.877  -0.352  -1.157  0.00  0.00    +0.014 C 
ATOM     14  C   LIG    1       -4.854   0.129  -2.239  0.00  0.00    +0.012 C 
ATOM     15  C   LIG    1       -2.918  -1.401  -1.725  0.00  0.00    +0.012 C 
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     16  C   LIG    1        0.178   4.340   1.160  0.00  0.00    +0.090 C 
ATOM     17  S   LIG    1       -0.075   3.562   2.779  0.00  0.00    -0.124 S 
ENDBRANCH   1  17
BRANCH   2  18
ATOM     18  N   LIG    1        0.255   1.022   1.011  0.00  0.00    -0.324 N 
ATOM     19  H   LIG    1        0.939   1.200   1.745  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        0.471  -0.266   0.369  0.00  0.00    +0.138 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.924  -0.367  -0.037  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        2.813  -1.182   0.674  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        4.159  -1.258   0.300  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        4.654  -0.520  -0.787  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1        3.756   0.301  -1.487  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        2.410   0.379  -1.117  0.00  0.00    +0.006 A 
BRANCH  24  27
ATOM     27  C   LIG    1        6.069  -0.602  -1.178  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        6.704  -1.825  -1.401  0.00  0.00    +0.119 A 
ATOM     29  N   LIG    1        8.004  -1.972  -1.758  0.00  0.00    -0.263 NA
ATOM     30  C   LIG    1        8.720  -0.839  -1.906  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        8.198   0.428  -1.715  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        6.858   0.543  -1.347  0.00  0.00    +0.011 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 7