REMARK  Name = BDB033405
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.637   2.874   1.688  0.00  0.00    -0.212 N 
ATOM      2  H   LIG    1       -1.135   3.520   2.305  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -3.543  -1.994   0.572  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -2.799  -0.705   0.809  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -2.083  -0.021  -0.211  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -1.421   1.168   0.114  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1       -0.837   1.646  -1.040  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1       -0.318   2.514  -1.091  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -1.063   0.786  -2.078  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -1.418   1.708   1.404  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -2.117   1.031   2.399  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -1.832  -0.254  -1.600  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1       -2.797  -0.150   2.106  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -2.276  -1.356  -2.396  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -2.628  -2.254  -3.041  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1        0.857   2.554   2.483  0.00  0.00    +0.096 S 
ATOM     17  O   LIG    1        1.637   3.771   2.367  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1        0.537   2.015   3.789  0.00  0.00    -0.148 OA
BRANCH  16  19
ATOM     19  C   LIG    1        1.735   1.283   1.589  0.00  0.00    +0.236 A 
ATOM     20  S   LIG    1        2.565   1.742   0.164  0.00  0.00    -0.052 S 
ATOM     21  C   LIG    1        2.955   0.094  -0.124  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1        2.446  -0.683   0.898  0.00  0.00    +0.124 A 
ATOM     23  N   LIG    1        1.739  -0.007   1.871  0.00  0.00    -0.229 NA
BRANCH  21  24
ATOM     24  C   LIG    1        3.728  -0.323  -1.330  0.00  0.00    +0.072 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.814  -0.617  -2.517  0.00  0.00    +0.161 C 
BRANCH  25  26
ATOM     26  O   LIG    1        3.582  -1.008  -3.649  0.00  0.00    -0.395 OA
ATOM     27  H   LIG    1        3.953  -1.889  -3.468  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 7