REMARK  Name = BDB012118
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.506  -0.743   0.737  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1       -0.471   0.004   0.070  0.00  0.00    -0.027 A 
ATOM      3  C   LIG    1       -0.521   0.206  -1.418  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -1.442   0.590   0.982  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -1.142   0.252   2.288  0.00  0.00    +0.058 A 
ATOM      6  S   LIG    1        0.230  -0.737   2.426  0.00  0.00    -0.099 S 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.568   1.453   0.593  0.00  0.00    +0.245 C 
ATOM      8  N   LIG    1       -3.613   1.490   1.489  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1       -3.651   0.805   2.232  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -2.586   2.077  -0.464  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1       -4.855   2.168   1.192  0.00  0.00    +0.145 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -5.818   1.198   0.571  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1       -6.389   0.193   1.529  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1       -6.039   0.148   2.706  0.00  0.00    -0.268 OA
ATOM     15  N   LIG    1       -7.312  -0.686   1.024  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1       -7.682  -1.356   1.687  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -7.718  -0.718  -0.286  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -8.722  -1.761  -0.666  0.00  0.00    +0.063 C 
ATOM     19  C   LIG    1       -7.200   0.169  -1.149  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -6.226   1.163  -0.718  0.00  0.00    -0.039 A 
ATOM     21  C   LIG    1       -5.754   2.082  -1.811  0.00  0.00    +0.044 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  22
ATOM     22  C   LIG    1        1.691  -1.491   0.103  0.00  0.00    +0.094 C 
BRANCH  22  23
ATOM     23  N   LIG    1        2.620  -0.574  -0.566  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        3.119   0.577   0.166  0.00  0.00    +0.086 C 
ATOM     25  C   LIG    1        4.374   1.183  -0.469  0.00  0.00    +0.034 C 
ATOM     26  C   LIG    1        5.497   0.130  -0.536  0.00  0.00    +0.058 C 
ATOM     27  C   LIG    1        4.976  -1.163  -1.213  0.00  0.00    +0.034 C 
ATOM     28  C   LIG    1        3.493  -1.133  -1.581  0.00  0.00    +0.086 C 
BRANCH  26  29
ATOM     29  N   LIG    1        6.752   0.595  -1.186  0.00  0.00    -0.305 NA
ATOM     30  C   LIG    1        7.164   1.934  -0.756  0.00  0.00    +0.104 C 
ATOM     31  C   LIG    1        7.858  -0.341  -0.934  0.00  0.00    +0.104 C 
ENDBRANCH  26  29
ENDBRANCH  22  23
BRANCH  22  33
ATOM     32  C   LIG    1        3.345  -2.238   2.018  0.00  0.00    +0.006 C 
ATOM     33  C   LIG    1        2.334  -2.623   0.946  0.00  0.00    +0.021 C 
ENDBRANCH  22  33
ENDBRANCH   1  22
TORSDOF 7