REMARK  Name = BDB061599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.157   1.331   0.751  0.00  0.00    +0.190 A 
ATOM      2  N   LIG    1       -0.440   0.141   0.845  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1       -1.752   0.134   1.175  0.00  0.00    +0.096 A 
ATOM      4  C   LIG    1       -2.480   1.278   1.433  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1       -1.773   2.458   1.302  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1       -0.463   2.495   0.967  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.332  -1.198   1.233  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1       -3.370  -1.784   0.444  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -3.541  -3.093   0.900  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.488  -3.968   0.356  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1       -5.283  -3.494  -0.691  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -5.132  -2.198  -1.176  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1       -2.632  -3.294   1.914  0.00  0.00    -0.360 N 
ATOM     14  H   LIG    1       -2.527  -4.161   2.423  0.00  0.00    +0.165 HD
ATOM     15  C   LIG    1       -4.180  -1.335  -0.622  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -1.887  -2.163   2.114  0.00  0.00    +0.093 A 
ENDBRANCH   3   7
BRANCH   4  17
ATOM     17  C   LIG    1       -3.852   1.244   1.824  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1       -4.969   1.239   2.136  0.00  0.00    -0.191 NA
ENDBRANCH   4  17
BRANCH   1  19
ATOM     19  S   LIG    1        1.868   1.415   0.305  0.00  0.00    -0.081 S 
BRANCH  19  20
ATOM     20  C   LIG    1        2.244  -0.358   0.148  0.00  0.00    +0.112 C 
BRANCH  20  25
ATOM     21  C   LIG    1        7.833  -1.159  -1.301  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        6.391  -0.985  -0.928  0.00  0.00    -0.050 A 
ATOM     23  C   LIG    1        5.412  -0.856  -1.919  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        4.073  -0.659  -1.572  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        3.689  -0.581  -0.227  0.00  0.00    -0.037 A 
ATOM     26  C   LIG    1        4.675  -0.687   0.764  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        6.014  -0.884   0.416  0.00  0.00    +0.003 A 
ENDBRANCH  20  25
ENDBRANCH  19  20
ENDBRANCH   1  19
BRANCH   5  28
ATOM     28  S   LIG    1       -2.522   4.055   1.599  0.00  0.00    -0.042 S 
BRANCH  28  29
ATOM     29  C   LIG    1       -2.372   4.737  -0.010  0.00  0.00    +0.141 A 
ATOM     30  S   LIG    1       -2.836   3.924  -1.455  0.00  0.00    -0.069 S 
ATOM     31  C   LIG    1       -2.390   5.307  -2.363  0.00  0.00    +0.067 A 
ATOM     32  C   LIG    1       -1.947   6.296  -1.512  0.00  0.00    +0.120 A 
ATOM     33  N   LIG    1       -1.954   5.974  -0.170  0.00  0.00    -0.241 NA
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 7