REMARK  Name = BDB051216
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.470  -0.078   1.588  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1        1.493  -1.302   2.138  0.00  0.00    -0.226 NA
ATOM      3  C   LIG    1        2.065  -2.291   1.427  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        2.601  -2.043   0.172  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1        2.529  -0.751  -0.325  0.00  0.00    +0.129 A 
ATOM      6  N   LIG    1        1.978   0.239   0.390  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.108  -3.690   2.052  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1        1.345  -4.689   1.160  0.00  0.00    +0.017 C 
ATOM      9  C   LIG    1        1.451  -3.708   3.450  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        3.571  -4.150   2.213  0.00  0.00    +0.017 C 
ENDBRANCH   3   7
BRANCH   5  11
ATOM     11  N   LIG    1        3.104  -0.500  -1.599  0.00  0.00    -0.285 N 
ATOM     12  H   LIG    1        2.904  -1.261  -2.239  0.00  0.00    +0.155 HD
BRANCH  11  13
ATOM     13  C   LIG    1        3.392   0.732  -2.091  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1        3.618   0.925  -3.429  0.00  0.00    -0.264 N 
ATOM     15  H   LIG    1        3.591   0.236  -4.168  0.00  0.00    +0.190 HD
ATOM     16  N   LIG    1        3.908   2.195  -3.762  0.00  0.00    -0.178 NA
ATOM     17  C   LIG    1        3.878   2.843  -2.590  0.00  0.00    +0.062 A 
ATOM     18  C   LIG    1        4.162   4.296  -2.531  0.00  0.00    +0.067 C 
ATOM     19  C   LIG    1        3.565   1.972  -1.521  0.00  0.00    +0.068 A 
ENDBRANCH  11  13
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  S   LIG    1        0.718   1.223   2.533  0.00  0.00    -0.050 S 
BRANCH  20  24
ATOM     21  C   LIG    1       -3.167   1.802   0.137  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1       -1.957   2.331  -0.332  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1       -0.772   2.159   0.393  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1       -0.779   1.449   1.595  0.00  0.00    +0.016 A 
ATOM     25  C   LIG    1       -1.986   0.932   2.072  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1       -3.171   1.105   1.346  0.00  0.00    +0.024 A 
BRANCH  21  28
ATOM     27  C   LIG    1       -5.606   1.585  -0.407  0.00  0.00    +0.217 C 
ATOM     28  N   LIG    1       -4.311   2.007  -0.662  0.00  0.00    -0.286 N 
ATOM     29  H   LIG    1       -4.163   2.519  -1.523  0.00  0.00    +0.155 HD
ATOM     30  O   LIG    1       -5.995   0.987   0.590  0.00  0.00    -0.275 OA
BRANCH  27  32
ATOM     31  C   LIG    1       -7.936   1.388  -1.371  0.00  0.00    +0.013 C 
ATOM     32  C   LIG    1       -6.548   1.982  -1.534  0.00  0.00    +0.093 C 
ENDBRANCH  27  32
ENDBRANCH  21  28
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 7