REMARK  Name = BDB004537
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.093   0.360   0.644  0.00  0.00    -0.320 N 
ATOM      2  H   LIG    1        0.333  -0.349   1.324  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.994   0.274  -0.441  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1        2.382   0.245  -0.190  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        3.225   0.141  -1.316  0.00  0.00    +0.088 A 
ATOM      6  C   LIG    1        4.616   0.089  -1.087  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1        5.147   0.153   0.217  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        4.312   0.275   1.315  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        2.700   0.100  -2.561  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        1.371   0.176  -2.683  0.00  0.00    +0.223 A 
ATOM     11  C   LIG    1        2.940   0.324   1.112  0.00  0.00    +0.013 A 
ATOM     12  N   LIG    1        0.498   0.267  -1.684  0.00  0.00    -0.220 NA
BRANCH   6  13
ATOM     13  C   LIG    1        5.626  -0.026  -2.186  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1        6.830  -0.016  -1.950  0.00  0.00    -0.270 OA
ATOM     15  N   LIG    1        5.185  -0.138  -3.470  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        5.861  -0.142  -4.219  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        4.194  -0.061  -3.686  0.00  0.00    +0.145 HD
ENDBRANCH   6  13
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1       -1.358   0.328   0.304  0.00  0.00    +0.121 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -2.944  -1.220  -0.941  0.00  0.00    +0.125 A 
ATOM     20  C   LIG    1       -1.885  -1.071  -0.016  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1       -1.388  -2.224   0.626  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1       -1.899  -3.488   0.331  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -2.925  -3.623  -0.597  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -3.450  -2.494  -1.227  0.00  0.00    +0.046 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -4.386  -0.175  -2.537  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -3.434  -0.060  -1.485  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH  18  20
BRANCH  18  27
ATOM     27  C   LIG    1       -2.146   0.913   1.511  0.00  0.00    +0.132 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -1.608   2.249   1.852  0.00  0.00    -0.193 NA
ATOM     29  H   LIG    1       -0.626   2.393   1.600  0.00  0.00    +0.148 HD
BRANCH  28  30
ATOM     30  S   LIG    1       -2.118   3.012   3.241  0.00  0.00    +0.027 S 
ATOM     31  O   LIG    1       -3.551   2.854   3.346  0.00  0.00    -0.158 OA
ATOM     32  O   LIG    1       -1.488   4.313   3.251  0.00  0.00    -0.158 OA
ATOM     33  C   LIG    1       -1.353   2.039   4.522  0.00  0.00    +0.214 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  18  27
ENDBRANCH   1  18
TORSDOF 8