REMARK  Name = BDB009688
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.434  -0.667  -0.021  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1        0.033   0.702  -0.308  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1        1.575   0.845  -0.155  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        2.347  -0.221  -0.949  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1        1.662  -1.600  -1.099  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1        2.703  -2.687  -0.714  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.418  -1.762  -0.202  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1        0.166  -2.864   0.293  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -0.492   1.289  -1.627  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -0.263   2.649  -1.916  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -0.749   3.236  -3.089  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -1.487   2.474  -3.988  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -2.088   3.192  -5.430  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -1.751   1.137  -3.716  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -1.264   0.555  -2.541  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1        1.991   0.998   1.310  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        1.990   2.288   1.877  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        2.348   2.485   3.212  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        2.338   4.074   3.872  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        2.711   1.406   4.010  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        2.712   0.124   3.468  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        2.354  -0.077   2.131  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  C   LIG    1       -1.609  -0.866   0.887  0.00  0.00    +0.079 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -2.229  -1.179   3.357  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -1.230  -0.608   2.360  0.00  0.00    +0.019 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1       -2.949  -0.247   0.410  0.00  0.00    +0.050 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -3.215   1.241   0.619  0.00  0.00    +0.157 C 
BRANCH  27  28
ATOM     28  O   LIG    1       -3.296   1.587   1.991  0.00  0.00    -0.395 OA
ATOM     29  H   LIG    1       -4.120   1.208   2.342  0.00  0.00    +0.209 HD
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH   1  23
BRANCH   5  30
ATOM     30  C   LIG    1        1.290  -1.844  -2.581  0.00  0.00    +0.136 C 
BRANCH  30  31
ATOM     31  C   LIG    1        0.510  -3.110  -2.822  0.00  0.00    +0.306 C 
ATOM     32  O   LIG    1        0.983  -4.205  -3.079  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -0.820  -2.937  -2.730  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1       -1.176  -3.848  -2.816  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 10