REMARK  Name = BDB061105
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.594  -0.228   0.084  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -0.892   0.989   0.213  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        0.466   1.009   0.594  0.00  0.00    +0.000 A 
ATOM      4  C   LIG    1        1.411   2.050   0.799  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        2.599   1.467   1.173  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1        2.416   0.107   1.193  0.00  0.00    -0.347 N 
ATOM      7  C   LIG    1        1.114  -0.201   0.849  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        0.449  -1.429   0.742  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -0.901  -1.418   0.360  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -4.911  -1.124  -1.450  0.00  0.00    +0.124 A 
ATOM     11  N   LIG    1       -5.670  -0.119  -1.004  0.00  0.00    -0.197 NA
ATOM     12  C   LIG    1       -5.044   0.781  -0.229  0.00  0.00    +0.272 A 
ATOM     13  N   LIG    1       -3.755   0.793   0.152  0.00  0.00    -0.212 NA
ATOM     14  C   LIG    1       -3.015  -0.230  -0.318  0.00  0.00    +0.078 A 
ATOM     15  C   LIG    1       -3.564  -1.210  -1.133  0.00  0.00    +0.072 A 
BRANCH  12  16
ATOM     16  S   LIG    1       -6.062   2.103   0.395  0.00  0.00    +0.029 S 
ATOM     17  O   LIG    1       -7.077   1.530   1.266  0.00  0.00    -0.167 OA
ATOM     18  O   LIG    1       -6.432   2.964  -0.718  0.00  0.00    -0.167 OA
ATOM     19  C   LIG    1       -4.973   3.043   1.431  0.00  0.00    +0.204 C 
ENDBRANCH  12  16
BRANCH  10  21
ATOM     20  C   LIG    1       -6.877  -1.953  -2.568  0.00  0.00    +0.127 C 
ATOM     21  N   LIG    1       -5.452  -2.099  -2.305  0.00  0.00    -0.332 N 
ATOM     22  H   LIG    1       -5.230  -3.027  -1.955  0.00  0.00    +0.147 HD
ENDBRANCH  10  21
ENDBRANCH   1  14
BRANCH   6  23
ATOM     23  C   LIG    1        3.449  -0.850   1.556  0.00  0.00    +0.123 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.110  -1.525   0.352  0.00  0.00    +0.037 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.933  -0.573  -0.526  0.00  0.00    +0.085 C 
BRANCH  25  26
ATOM     26  N   LIG    1        5.997   0.136   0.205  0.00  0.00    -0.308 NA
ATOM     27  C   LIG    1        6.513   1.240  -0.611  0.00  0.00    +0.104 C 
ATOM     28  C   LIG    1        7.097  -0.757   0.575  0.00  0.00    +0.104 C 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 7