REMARK  Name = BDB022186
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.457  -0.514   0.266  0.00  0.00    +0.083 C 
ATOM      2  C   LIG    1       -1.089   0.642   1.089  0.00  0.00    +0.171 C 
ATOM      3  C   LIG    1       -1.248   0.385   2.613  0.00  0.00    +0.240 C 
ATOM      4  O   LIG    1       -1.567   1.302   3.379  0.00  0.00    -0.273 OA
ATOM      5  N   LIG    1       -1.199  -0.895   3.106  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1       -1.403  -1.019   4.090  0.00  0.00    +0.156 HD
ATOM      7  C   LIG    1       -0.918  -1.941   2.273  0.00  0.00    +0.127 A 
ATOM      8  N   LIG    1       -0.904  -3.272   2.571  0.00  0.00    -0.253 N 
ATOM      9  C   LIG    1       -1.190  -3.907   3.833  0.00  0.00    +0.174 C 
ATOM     10  N   LIG    1       -0.608  -4.038   1.501  0.00  0.00    -0.175 NA
ATOM     11  C   LIG    1       -0.397  -3.160   0.509  0.00  0.00    +0.066 A 
ATOM     12  C   LIG    1       -0.010  -3.634  -0.843  0.00  0.00    +0.068 C 
ATOM     13  C   LIG    1       -0.575  -1.827   0.952  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1        3.755   0.204  -0.569  0.00  0.00    +0.162 A 
ATOM     15  C   LIG    1        2.787   0.323  -1.583  0.00  0.00    +0.162 A 
ATOM     16  C   LIG    1        1.441   0.073  -1.287  0.00  0.00    +0.053 A 
ATOM     17  C   LIG    1        1.030  -0.289   0.010  0.00  0.00    -0.034 A 
ATOM     18  C   LIG    1        2.006  -0.370   1.014  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        3.354  -0.136   0.726  0.00  0.00    +0.050 A 
BRANCH  15  20
ATOM     20  O   LIG    1        3.252   0.674  -2.827  0.00  0.00    -0.491 OA
ATOM     21  C   LIG    1        2.288   1.005  -3.816  0.00  0.00    +0.277 C 
ENDBRANCH  15  20
BRANCH  14  22
ATOM     22  O   LIG    1        5.053   0.453  -0.940  0.00  0.00    -0.489 OA
BRANCH  22  24
ATOM     23  C   LIG    1        7.408   0.572  -0.615  0.00  0.00    +0.048 C 
ATOM     24  C   LIG    1        6.070   0.288   0.043  0.00  0.00    +0.226 C 
ENDBRANCH  22  24
ENDBRANCH  14  22
ENDBRANCH   1  17
BRANCH   2  25
ATOM     25  N   LIG    1       -2.435   1.035   0.622  0.00  0.00    -0.299 N 
ATOM     26  H   LIG    1       -3.069   1.349   1.350  0.00  0.00    +0.150 HD
ATOM     27  C   LIG    1       -2.609   1.589  -0.629  0.00  0.00    +0.245 C 
ATOM     28  O   LIG    1       -1.719   1.644  -1.469  0.00  0.00    -0.270 OA
BRANCH  27  29
ATOM     29  C   LIG    1       -3.952   2.165  -0.918  0.00  0.00    +0.037 A 
ATOM     30  C   LIG    1       -4.050   3.173  -1.887  0.00  0.00    +0.014 A 
ATOM     31  C   LIG    1       -5.290   3.738  -2.193  0.00  0.00    +0.021 A 
ATOM     32  C   LIG    1       -6.435   3.289  -1.537  0.00  0.00    +0.041 A 
ATOM     33 CL   LIG    1       -7.964   3.982  -1.913  0.00  0.00    -0.084 Cl
ATOM     34  C   LIG    1       -6.351   2.276  -0.582  0.00  0.00    +0.021 A 
ATOM     35  C   LIG    1       -5.110   1.709  -0.273  0.00  0.00    +0.014 A 
ENDBRANCH  27  29
ENDBRANCH   2  25
TORSDOF 6