REMARK  Name = BDB027521
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.299   1.357   1.012  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.514   0.394   0.416  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        1.963   0.479   0.617  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.465  -0.705   1.469  0.00  0.00    +0.090 C 
ATOM      5  C   LIG    1        1.946  -2.066   0.957  0.00  0.00    +0.025 C 
ATOM      6  C   LIG    1        1.090  -1.930  -0.305  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.005  -0.866  -0.133  0.00  0.00    +0.108 C 
ATOM      8  O   LIG    1        0.125   2.257   1.732  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -4.537   1.217   0.392  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -4.000   1.158   1.681  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -2.616   1.204   1.878  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -1.759   1.293   0.780  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1       -2.281   1.379  -0.511  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -3.666   1.335  -0.702  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -6.963   1.053   1.012  0.00  0.00    +0.217 C 
ATOM     16  N   LIG    1       -5.918   1.178   0.109  0.00  0.00    -0.286 N 
ATOM     17  H   LIG    1       -6.173   1.256  -0.867  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1       -6.867   0.936   2.228  0.00  0.00    -0.275 OA
BRANCH  15  20
ATOM     19  C   LIG    1       -9.479   0.982   1.266  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1       -8.308   1.066   0.302  0.00  0.00    +0.093 C 
ENDBRANCH  15  20
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   4  21
ATOM     21  N   LIG    1        3.911  -0.709   1.686  0.00  0.00    -0.309 N 
ATOM     22  H   LIG    1        4.242  -0.019   2.353  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.770  -0.639   0.607  0.00  0.00    +0.216 A 
ATOM     24  N   LIG    1        4.439  -1.180  -0.572  0.00  0.00    -0.214 NA
ATOM     25  C   LIG    1        5.317  -1.091  -1.578  0.00  0.00    +0.076 A 
ATOM     26  C   LIG    1        6.550  -0.451  -1.440  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        7.458  -0.368  -2.514  0.00  0.00    +0.031 A 
ATOM     28  C   LIG    1        7.121  -0.935  -3.739  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        5.897  -1.576  -3.895  0.00  0.00    +0.022 A 
ATOM     30 CL   LIG    1        8.217  -0.841  -5.058  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1        6.789   0.081  -0.186  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1        5.009  -1.646  -2.815  0.00  0.00    +0.030 A 
ATOM     33  N   LIG    1        5.920   0.002   0.839  0.00  0.00    -0.222 NA
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 5