REMARK  Name = BDB043931
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.623  -0.909  -1.823  0.00  0.00    +0.025 C 
ATOM      2  C   LIG    1       -1.821  -0.456  -1.425  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1       -2.317   0.033  -0.135  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1       -3.659   0.377  -0.351  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -4.470   0.884   0.644  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -3.902   1.050   1.909  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1       -2.557   0.708   2.138  0.00  0.00    +0.042 A 
ATOM      8 CL   LIG    1       -1.889   0.929   3.710  0.00  0.00    -0.084 Cl
ATOM      9  N   LIG    1       -4.024   0.134  -1.672  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1       -4.932   0.297  -2.077  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -1.752   0.194   1.117  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -2.963  -0.378  -2.403  0.00  0.00    +0.249 C 
ATOM     13  O   LIG    1       -2.965  -0.698  -3.576  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1        2.806  -1.328   0.686  0.00  0.00    +0.124 A 
ATOM     15  C   LIG    1        2.563  -0.103   0.056  0.00  0.00    +0.091 A 
ATOM     16  C   LIG    1        1.447   0.059  -0.777  0.00  0.00    +0.131 A 
ATOM     17  C   LIG    1        0.568  -1.023  -0.975  0.00  0.00    +0.018 A 
ATOM     18  C   LIG    1        0.817  -2.248  -0.346  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        1.930  -2.394   0.480  0.00  0.00    +0.046 A 
BRANCH  14  21
ATOM     20  C   LIG    1        4.784  -0.565   1.773  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        3.854  -1.610   1.520  0.00  0.00    -0.495 OA
ENDBRANCH  14  21
BRANCH  16  22
ATOM     22  O   LIG    1        1.124   1.222  -1.431  0.00  0.00    -0.494 OA
ATOM     23  C   LIG    1        1.980   2.342  -1.255  0.00  0.00    +0.277 C 
ENDBRANCH  16  22
ENDBRANCH   1  17
TORSDOF 3