REMARK  Name = BDB001855
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.347  -0.472   0.287  0.00  0.00    +0.121 A 
ATOM      2  N   LIG    1        2.260   0.493   0.758  0.00  0.00    -0.285 N 
ATOM      3  C   LIG    1        1.740   1.332   1.768  0.00  0.00    +0.132 A 
ATOM      4  S   LIG    1        2.474   2.498   2.716  0.00  0.00    -0.024 S 
ATOM      5  S   LIG    1        0.040   0.905   2.037  0.00  0.00    -0.055 S 
ATOM      6  C   LIG    1        0.138  -0.367   0.876  0.00  0.00    +0.114 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        3.619   0.573   0.305  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        4.194   1.799  -0.054  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        5.514   1.864  -0.513  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        6.274   0.703  -0.624  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        5.715  -0.525  -0.281  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        4.396  -0.589   0.176  0.00  0.00    +0.026 A 
ENDBRANCH   2   7
BRANCH   6  13
ATOM     13  C   LIG    1       -1.051  -1.202   0.539  0.00  0.00    +0.254 C 
ATOM     14  N   LIG    1       -2.140  -1.032   1.359  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1       -2.101  -0.301   2.059  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1       -1.048  -1.969  -0.421  0.00  0.00    -0.270 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -3.416  -1.647   1.080  0.00  0.00    +0.141 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -4.312  -0.707   0.330  0.00  0.00    -0.012 A 
ATOM     19  C   LIG    1       -4.271  -0.640  -1.059  0.00  0.00    +0.115 A 
ATOM     20  N   LIG    1       -5.033   0.195  -1.801  0.00  0.00    -0.263 NA
ATOM     21  C   LIG    1       -5.873   1.010  -1.128  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1       -5.983   1.030   0.252  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -5.187   0.160   0.991  0.00  0.00    +0.008 A 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   6  13
BRANCH   1  24
ATOM     24  N   LIG    1        1.650  -1.385  -0.709  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1        2.225  -0.975  -1.441  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1        0.810  -1.831  -1.095  0.00  0.00    +0.144 HD
ENDBRANCH   1  24
TORSDOF 5