REMARK  Name = BDB000212
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.228   0.916   1.161  0.00  0.00    -0.279 N 
ATOM      2  H   LIG    1        0.005   1.552   1.915  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -1.314  -3.621   0.599  0.00  0.00    +0.088 C 
ATOM      4  C   LIG    1       -1.597  -2.155   0.686  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1       -2.881  -1.764   0.620  0.00  0.00    -0.218 NA
ATOM      6  C   LIG    1       -3.135  -0.451   0.702  0.00  0.00    +0.127 A 
ATOM      7  C   LIG    1       -2.105   0.457   0.887  0.00  0.00    +0.087 A 
ATOM      8  C   LIG    1       -0.810  -0.024   0.971  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1       -0.554  -1.334   0.869  0.00  0.00    -0.217 NA
BRANCH   6  10
ATOM     10  N   LIG    1       -4.463   0.023   0.620  0.00  0.00    -0.313 N 
ATOM     11  C   LIG    1       -4.647   0.914  -0.554  0.00  0.00    +0.122 C 
ATOM     12  C   LIG    1       -6.127   0.965  -0.999  0.00  0.00    +0.103 C 
ATOM     13  N   LIG    1       -6.660  -0.348  -1.421  0.00  0.00    -0.297 NA
ATOM     14  C   LIG    1       -6.038  -1.453  -0.649  0.00  0.00    +0.103 C 
ATOM     15  C   LIG    1       -5.498  -1.032   0.734  0.00  0.00    +0.122 C 
BRANCH  13  16
ATOM     16  C   LIG    1       -8.134  -0.407  -1.361  0.00  0.00    +0.112 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -8.870   0.631  -2.229  0.00  0.00    +0.171 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -8.632   0.404  -3.614  0.00  0.00    -0.394 OA
ATOM     19  H   LIG    1       -9.055   1.129  -4.102  0.00  0.00    +0.209 HD
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   6  10
ENDBRANCH   1   8
BRANCH   1  20
ATOM     20  C   LIG    1        1.544   0.638   1.008  0.00  0.00    +0.164 A 
ATOM     21  S   LIG    1        2.695   1.532   1.938  0.00  0.00    -0.047 S 
ATOM     22  C   LIG    1        3.982   0.682   1.190  0.00  0.00    +0.095 A 
ATOM     23  C   LIG    1        3.456  -0.227   0.296  0.00  0.00    +0.133 A 
ATOM     24  N   LIG    1        2.083  -0.218   0.169  0.00  0.00    -0.232 NA
BRANCH  22  25
ATOM     25  C   LIG    1        5.360   0.966   1.551  0.00  0.00    +0.256 C 
ATOM     26  N   LIG    1        6.291   0.471   0.641  0.00  0.00    -0.280 N 
ATOM     27  H   LIG    1        5.957   0.414  -0.310  0.00  0.00    +0.155 HD
ATOM     28  O   LIG    1        5.670   1.649   2.523  0.00  0.00    -0.269 OA
BRANCH  26  29
ATOM     29  C   LIG    1        7.696   0.575   0.818  0.00  0.00    +0.055 A 
ATOM     30  C   LIG    1        8.344   0.222   2.022  0.00  0.00    +0.062 A 
ATOM     31 CL   LIG    1        7.537  -0.575   3.333  0.00  0.00    -0.082 Cl
ATOM     32  C   LIG    1        9.730   0.363   2.148  0.00  0.00    +0.022 A 
ATOM     33  C   LIG    1       10.490   0.823   1.077  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1        9.869   1.123  -0.133  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1        8.476   0.997  -0.283  0.00  0.00    -0.028 A 
ATOM     36  C   LIG    1        7.868   1.355  -1.613  0.00  0.00    +0.046 C 
ENDBRANCH  26  29
ENDBRANCH  22  25
ENDBRANCH   1  20
TORSDOF 8