REMARK  Name = BDB054508
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.256  -0.296  -0.176  0.00  0.00    +0.154 A 
ATOM      2  C   LIG    1        0.461  -1.436  -0.294  0.00  0.00    +0.134 A 
ATOM      3  C   LIG    1       -0.880  -1.155  -0.492  0.00  0.00    +0.136 A 
ATOM      4  C   LIG    1       -1.691  -2.290  -0.625  0.00  0.00    +0.148 A 
ATOM      5  N   LIG    1       -1.217  -3.553  -0.550  0.00  0.00    -0.219 NA
ATOM      6  C   LIG    1        0.092  -3.692  -0.344  0.00  0.00    +0.224 A 
ATOM      7  N   LIG    1       -1.381   0.101  -0.571  0.00  0.00    -0.209 NA
ATOM      8  C   LIG    1       -0.548   1.135  -0.425  0.00  0.00    +0.220 A 
ATOM      9  N   LIG    1        0.966  -2.694  -0.210  0.00  0.00    -0.230 NA
ATOM     10  N   LIG    1        0.764   0.960  -0.247  0.00  0.00    -0.197 NA
ENDROOT
BRANCH   8  11
ATOM     11  N   LIG    1       -1.059   2.431  -0.506  0.00  0.00    -0.297 N 
ATOM     12  C   LIG    1       -0.213   3.440   0.156  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1       -0.793   4.858  -0.047  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1       -2.204   4.982   0.361  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1       -2.542   5.911   0.110  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1       -3.001   3.971  -0.357  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1       -2.487   2.527  -0.160  0.00  0.00    +0.123 C 
ENDBRANCH   8  11
BRANCH   1  18
ATOM     18  N   LIG    1        2.656  -0.510  -0.018  0.00  0.00    -0.297 N 
ATOM     19  H   LIG    1        2.809  -1.357   0.532  0.00  0.00    +0.154 HD
BRANCH  18  21
ATOM     20  C   LIG    1        4.909  -0.006   0.781  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1        3.721   0.406   0.133  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        3.687   1.695  -0.414  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1        4.768   2.571  -0.275  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        5.914   2.166   0.402  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        5.987   0.878   0.928  0.00  0.00    +0.016 A 
BRANCH  20  27
ATOM     26  C   LIG    1        5.616  -2.510  -0.050  0.00  0.00    +0.090 C 
ATOM     27  S   LIG    1        5.079  -1.662   1.459  0.00  0.00    -0.127 S 
ENDBRANCH  20  27
ENDBRANCH  18  21
ENDBRANCH   1  18
BRANCH   4  28
ATOM     28  N   LIG    1       -3.087  -2.088  -0.752  0.00  0.00    -0.327 N 
ATOM     29  H   LIG    1       -3.235  -1.240  -1.296  0.00  0.00    +0.148 HD
BRANCH  28  30
ATOM     30  C   LIG    1       -3.884  -3.214  -1.208  0.00  0.00    +0.106 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -4.644  -3.887  -0.099  0.00  0.00    +0.006 C 
ATOM     32  C   LIG    1       -4.152  -3.969   1.327  0.00  0.00    +0.005 C 
ATOM     33  C   LIG    1       -5.328  -3.093   0.989  0.00  0.00    +0.005 C 
ENDBRANCH  30  31
ENDBRANCH  28  30
ENDBRANCH   4  28
TORSDOF 7