REMARK  Name = BDB002714
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.494   0.009   0.469  0.00  0.00    +0.184 A 
ATOM      2  N   LIG    1        3.355  -0.503  -0.154  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1        3.614  -1.697  -0.783  0.00  0.00    +0.202 A 
ATOM      4  N   LIG    1        2.843  -2.441  -1.485  0.00  0.00    -0.182 NA
ATOM      5  C   LIG    1        1.565  -1.982  -1.673  0.00  0.00    +0.283 A 
ATOM      6  C   LIG    1        1.115  -0.760  -0.893  0.00  0.00    +0.080 A 
ATOM      7  O   LIG    1        0.784  -2.527  -2.447  0.00  0.00    -0.265 OA
ATOM      8  S   LIG    1        5.300  -2.111  -0.481  0.00  0.00    +0.053 S 
ATOM      9  C   LIG    1        2.033  -0.034  -0.192  0.00  0.00    +0.117 A 
ATOM     10  N   LIG    1        5.604  -0.686   0.406  0.00  0.00    -0.182 NA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -0.293  -0.401  -1.011  0.00  0.00    +0.027 C 
ATOM     12  C   LIG    1       -1.240  -0.425  -0.062  0.00  0.00    +0.006 C 
ATOM     13  C   LIG    1       -2.622   0.016  -0.258  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1       -3.225  -0.124   1.000  0.00  0.00    +0.072 A 
ATOM     15  C   LIG    1       -4.552   0.212   1.189  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -5.279   0.698   0.098  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -4.676   0.852  -1.169  0.00  0.00    -0.050 A 
ATOM     18  C   LIG    1       -5.491   1.337  -2.333  0.00  0.00    +0.044 C 
ATOM     19  N   LIG    1       -2.360  -0.642   1.986  0.00  0.00    -0.251 NA
ATOM     20  C   LIG    1       -3.330   0.494  -1.350  0.00  0.00    +0.014 A 
ATOM     21  C   LIG    1       -1.214  -0.845   1.379  0.00  0.00    +0.047 C 
ATOM     22  C   LIG    1       -0.040  -1.444   2.080  0.00  0.00    +0.066 C 
ENDBRANCH   6  11
BRANCH   9  23
ATOM     23  N   LIG    1        1.631   1.119   0.473  0.00  0.00    -0.343 N 
ATOM     24  H   LIG    1        0.805   1.583   0.102  0.00  0.00    +0.144 HD
ATOM     25  H   LIG    1        2.390   1.772   0.672  0.00  0.00    +0.144 HD
ENDBRANCH   9  23
BRANCH   1  27
ATOM     26  C   LIG    1        6.104   1.468   2.156  0.00  0.00    +0.093 C 
ATOM     27  S   LIG    1        4.518   1.560   1.295  0.00  0.00    -0.090 S 
ENDBRANCH   1  27
TORSDOF 3