REMARK  Name = BDB056932
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.318  -1.372  -1.150  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1       -2.965  -0.227  -0.889  0.00  0.00    -0.207 NA
ATOM      3  C   LIG    1       -2.225   0.857  -0.610  0.00  0.00    +0.196 A 
ATOM      4  N   LIG    1       -0.890   0.887  -0.582  0.00  0.00    -0.206 NA
ATOM      5  C   LIG    1       -0.241  -0.247  -0.856  0.00  0.00    +0.130 A 
ATOM      6  C   LIG    1       -0.935  -1.407  -1.156  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -6.173  -5.114  -0.405  0.00  0.00    +0.105 C 
ATOM      8  N   LIG    1       -4.972  -4.787  -1.168  0.00  0.00    -0.302 NA
ATOM      9  C   LIG    1       -3.826  -4.562  -0.262  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1       -2.644  -3.812  -0.920  0.00  0.00    +0.122 C 
ATOM     11  N   LIG    1       -3.063  -2.507  -1.460  0.00  0.00    -0.313 N 
ATOM     12  C   LIG    1       -4.514  -2.310  -1.613  0.00  0.00    +0.122 C 
ATOM     13  C   LIG    1       -5.190  -3.627  -2.062  0.00  0.00    +0.103 C 
ENDBRANCH   1  11
BRANCH   5  14
ATOM     14  N   LIG    1        1.174  -0.295  -0.874  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1        1.502  -1.147  -0.442  0.00  0.00    +0.155 HD
BRANCH  14  16
ATOM     16  C   LIG    1        2.037   0.748  -0.913  0.00  0.00    +0.146 A 
ATOM     17  N   LIG    1        1.813   1.982  -1.368  0.00  0.00    -0.158 NA
ATOM     18  N   LIG    1        2.974   2.624  -1.207  0.00  0.00    -0.280 N 
ATOM     19  H   LIG    1        3.019   3.599  -1.484  0.00  0.00    +0.189 HD
ATOM     20  C   LIG    1        3.968   1.847  -0.681  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1        3.382   0.612  -0.488  0.00  0.00    +0.068 A 
BRANCH  20  22
ATOM     22  C   LIG    1        5.343   2.371  -0.428  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1        6.437   1.488  -1.052  0.00  0.00    +0.010 C 
ATOM     24  C   LIG    1        7.117   0.798   0.122  0.00  0.00    +0.001 C 
ATOM     25  C   LIG    1        7.061   1.847   1.218  0.00  0.00    +0.001 C 
ATOM     26  C   LIG    1        5.664   2.434   1.076  0.00  0.00    +0.010 C 
ENDBRANCH  20  22
ENDBRANCH  14  16
ENDBRANCH   5  14
BRANCH   3  27
ATOM     27  S   LIG    1       -3.111   2.367  -0.292  0.00  0.00    -0.050 S 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.368   2.903   1.238  0.00  0.00    +0.016 A 
ATOM     29  C   LIG    1       -1.056   3.389   1.281  0.00  0.00    +0.015 A 
ATOM     30  C   LIG    1       -0.503   3.825   2.486  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -1.261   3.790   3.655  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -2.573   3.320   3.619  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -3.126   2.881   2.414  0.00  0.00    +0.015 A 
ENDBRANCH  27  28
ENDBRANCH   3  27
TORSDOF 6