REMARK  Name = BDB049487
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.254   0.191  -1.873  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        0.396  -1.022  -1.784  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1        0.060  -1.713  -1.128  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.227   1.175  -2.424  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -4.121   0.526   0.042  0.00  0.00    -0.042 A 
ATOM      6  C   LIG    1       -3.283   1.642  -0.153  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1       -2.037   1.521  -0.777  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -1.588   0.275  -1.216  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -2.409  -0.843  -1.049  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -3.657  -0.716  -0.424  0.00  0.00    +0.005 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -6.362   1.672  -0.086  0.00  0.00    +0.015 C 
ATOM     12  C   LIG    1       -5.486   0.699   0.733  0.00  0.00    -0.013 C 
ATOM     13  C   LIG    1       -6.282  -0.618   0.881  0.00  0.00    +0.015 C 
ATOM     14  C   LIG    1       -5.281   1.270   2.152  0.00  0.00    +0.015 C 
ENDBRANCH   5  12
ENDBRANCH   1   8
BRANCH   2  15
ATOM     15  C   LIG    1        1.748  -1.186  -2.269  0.00  0.00    +0.141 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.756  -0.888  -1.187  0.00  0.00    -0.012 A 
ATOM     17  C   LIG    1        3.128  -1.828  -0.214  0.00  0.00    +0.047 A 
ATOM     18 CL   LIG    1        2.446  -3.416  -0.182  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1        4.056  -1.499   0.780  0.00  0.00    +0.044 A 
ATOM     20  C   LIG    1        4.614  -0.224   0.821  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1        4.233   0.731  -0.120  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        3.311   0.401  -1.116  0.00  0.00    +0.008 A 
BRANCH  20  23
ATOM     23  N   LIG    1        5.562   0.143   1.818  0.00  0.00    -0.221 N 
ATOM     24  H   LIG    1        5.659   1.135   2.035  0.00  0.00    +0.173 HD
BRANCH  23  25
ATOM     25  S   LIG    1        7.022  -0.686   1.943  0.00  0.00    +0.040 S 
ATOM     26  O   LIG    1        6.774  -2.104   2.068  0.00  0.00    -0.155 OA
ATOM     27  O   LIG    1        7.795   0.033   2.934  0.00  0.00    -0.155 OA
ATOM     28  C   LIG    1        7.772  -0.377   0.355  0.00  0.00    +0.218 C 
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH  15  16
ENDBRANCH   2  15
TORSDOF 6