REMARK  Name = BDB059419
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.322   0.662   0.555  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        0.824   0.036   1.076  0.00  0.00    +0.138 A 
ATOM      3  C   LIG    1        1.909   0.791   1.532  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1        1.878   2.182   1.430  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        0.754   2.811   0.897  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -0.337   2.060   0.452  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   1  15
ATOM      7  C   LIG    1       -3.901  -1.407  -2.437  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -3.083  -1.040  -1.252  0.00  0.00    -0.019 A 
ATOM      9  C   LIG    1       -3.258  -1.478   0.050  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1       -2.287  -0.901   0.850  0.00  0.00    -0.310 N 
ATOM     11  C   LIG    1       -2.250  -1.146   2.223  0.00  0.00    +0.109 A 
ATOM     12  C   LIG    1       -3.152  -1.966   2.779  0.00  0.00    +0.104 A 
ATOM     13  N   LIG    1       -4.114  -2.561   1.998  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1       -4.798  -3.184   2.410  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1       -1.472  -0.102   0.064  0.00  0.00    +0.058 A 
ATOM     16  C   LIG    1       -4.240  -2.373   0.629  0.00  0.00    +0.273 A 
ATOM     17  O   LIG    1       -5.133  -2.938   0.005  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1       -1.963  -0.166  -1.231  0.00  0.00    +0.032 A 
ENDBRANCH   1  15
BRANCH   5  19
ATOM     19  N   LIG    1        0.753   4.227   0.727  0.00  0.00    -0.221 N 
ATOM     20  H   LIG    1       -0.165   4.670   0.821  0.00  0.00    +0.173 HD
BRANCH  19  21
ATOM     21  S   LIG    1        1.480   4.821  -0.687  0.00  0.00    +0.040 S 
ATOM     22  O   LIG    1        1.803   3.734  -1.583  0.00  0.00    -0.155 OA
ATOM     23  O   LIG    1        0.649   5.929  -1.107  0.00  0.00    -0.155 OA
ATOM     24  C   LIG    1        2.989   5.498  -0.031  0.00  0.00    +0.218 C 
ENDBRANCH  19  21
ENDBRANCH   5  19
BRANCH   2  25
ATOM     25  O   LIG    1        0.863  -1.336   1.190  0.00  0.00    -0.455 OA
BRANCH  25  26
ATOM     26  C   LIG    1        1.753  -2.009   0.381  0.00  0.00    +0.129 A 
ATOM     27  C   LIG    1        2.253  -3.209   0.893  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1        3.144  -3.977   0.139  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        3.522  -3.546  -1.131  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1        4.621  -4.489  -2.061  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1        3.013  -2.359  -1.656  0.00  0.00    +0.023 A 
ATOM     32  C   LIG    1        2.121  -1.591  -0.902  0.00  0.00    +0.048 A 
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 5