REMARK  Name = BDB051220
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.217  -1.940  -1.576  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1       -1.859  -3.115  -1.567  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -2.607  -3.403  -0.485  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -2.684  -2.535   0.589  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -1.972  -1.352   0.512  0.00  0.00    +0.129 A 
ATOM      6  N   LIG    1       -1.266  -1.035  -0.585  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.315  -4.699  -0.528  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -2.777  -5.785  -1.235  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -3.457  -6.992  -1.257  0.00  0.00    +0.111 A 
ATOM     10  N   LIG    1       -4.633  -7.199  -0.631  0.00  0.00    -0.263 NA
ATOM     11  C   LIG    1       -5.154  -6.150   0.033  0.00  0.00    +0.111 A 
ATOM     12  C   LIG    1       -4.546  -4.905   0.112  0.00  0.00    +0.030 A 
ENDBRANCH   3   7
BRANCH   5  13
ATOM     13  N   LIG    1       -2.075  -0.441   1.592  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1       -2.267  -0.899   2.477  0.00  0.00    +0.155 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -1.551   0.810   1.642  0.00  0.00    +0.120 A 
ATOM     16  N   LIG    1       -0.969   1.433   0.570  0.00  0.00    -0.264 N 
ATOM     17  H   LIG    1       -0.827   1.031  -0.350  0.00  0.00    +0.190 HD
ATOM     18  N   LIG    1       -0.549   2.688   0.828  0.00  0.00    -0.178 NA
ATOM     19  C   LIG    1       -0.839   2.856   2.123  0.00  0.00    +0.062 A 
ATOM     20  C   LIG    1       -0.505   4.130   2.802  0.00  0.00    +0.067 C 
ATOM     21  C   LIG    1       -1.466   1.712   2.676  0.00  0.00    +0.068 A 
ENDBRANCH  13  15
ENDBRANCH   5  13
BRANCH   1  22
ATOM     22  S   LIG    1       -0.257  -1.579  -3.035  0.00  0.00    -0.050 S 
BRANCH  22  26
ATOM     23  C   LIG    1        2.429   1.767  -1.399  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        2.738   0.430  -1.149  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        1.937  -0.592  -1.670  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1        0.818  -0.289  -2.450  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1        0.533   1.046  -2.744  0.00  0.00    +0.017 A 
ATOM     28  C   LIG    1        1.329   2.066  -2.213  0.00  0.00    +0.024 A 
BRANCH  23  30
ATOM     29  C   LIG    1        4.254   2.817  -0.036  0.00  0.00    +0.217 C 
ATOM     30  N   LIG    1        3.142   2.857  -0.861  0.00  0.00    -0.286 N 
ATOM     31  H   LIG    1        2.757   3.772  -1.060  0.00  0.00    +0.155 HD
ATOM     32  O   LIG    1        4.861   1.815   0.326  0.00  0.00    -0.275 OA
BRANCH  29  34
ATOM     33  C   LIG    1        5.887   4.211   1.302  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1        4.673   4.216   0.390  0.00  0.00    +0.093 C 
ENDBRANCH  29  34
ENDBRANCH  23  30
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 7