REMARK  Name = BDB001808
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.234  -0.545  -1.694  0.00  0.00    +0.260 C 
ATOM      2  N   LIG    1        0.697  -1.847  -1.608  0.00  0.00    -0.231 N 
ATOM      3  H   LIG    1        0.095  -2.588  -1.265  0.00  0.00    +0.173 HD
ATOM      4  O   LIG    1        0.846   0.363  -2.248  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  N   LIG    1       -4.753   0.764   0.458  0.00  0.00    -0.328 N 
ATOM      6  C   LIG    1       -3.506   0.266   0.149  0.00  0.00    +0.069 A 
ATOM      7  C   LIG    1       -3.154   0.935  -1.019  0.00  0.00    +0.090 A 
ATOM      8  C   LIG    1       -1.917   0.674  -1.624  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -1.071  -0.277  -1.036  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -1.439  -0.932   0.148  0.00  0.00    +0.015 A 
ATOM     11  N   LIG    1       -4.145   1.795  -1.410  0.00  0.00    -0.233 NA
ATOM     12  C   LIG    1       -2.671  -0.674   0.764  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1       -5.101   1.681  -0.511  0.00  0.00    +0.108 A 
ATOM     14  C   LIG    1       -6.383   2.431  -0.526  0.00  0.00    +0.086 C 
BRANCH   5  16
ATOM     15  C   LIG    1       -6.413  -0.827   1.351  0.00  0.00    +0.027 C 
ATOM     16  C   LIG    1       -5.547   0.393   1.614  0.00  0.00    +0.120 C 
ENDBRANCH   5  16
ENDBRANCH   1   9
BRANCH   2  17
ATOM     17  N   LIG    1        1.793  -2.258  -2.399  0.00  0.00    -0.245 N 
ATOM     18  H   LIG    1        1.646  -3.086  -2.970  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  C   LIG    1        3.097  -2.070  -1.966  0.00  0.00    +0.151 C 
ATOM     20  S   LIG    1        4.230  -3.180  -2.488  0.00  0.00    -0.017 S 
BRANCH  19  21
ATOM     21  N   LIG    1        3.265  -0.945  -1.195  0.00  0.00    -0.296 N 
ATOM     22  H   LIG    1        2.554  -0.248  -1.410  0.00  0.00    +0.154 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.333  -0.486  -0.401  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        4.325   0.873  -0.061  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        5.330   1.420   0.743  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        6.351   0.610   1.244  0.00  0.00    -0.050 A 
ATOM     27  C   LIG    1        7.453   1.196   2.075  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1        6.357  -0.749   0.912  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        5.349  -1.294   0.106  0.00  0.00    +0.023 A 
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   2  17
TORSDOF 6