REMARK  Name = BDB009549
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.079  -2.195   0.192  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -0.439  -2.033   0.220  0.00  0.00    +0.220 C 
ATOM      3  O   LIG    1       -1.177  -2.992   0.439  0.00  0.00    -0.275 OA
ATOM      4  N   LIG    1       -0.914  -0.727   0.050  0.00  0.00    -0.288 N 
ATOM      5  C   LIG    1        0.077   0.370   0.194  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1        1.308   0.154  -0.751  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1        1.645  -1.339  -0.939  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -0.476   1.787   0.035  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -0.529   2.642   1.150  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -1.021   3.944   1.028  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -1.465   4.405  -0.208  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -2.071   6.007  -0.357  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -1.423   3.575  -1.325  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.931   2.273  -1.205  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1        2.521   0.964  -0.298  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1        2.934   2.071  -1.059  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        4.027   2.841  -0.657  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        4.511   4.194  -1.604  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        4.726   2.523   0.503  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        4.327   1.429   1.268  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        3.232   0.656   0.873  0.00  0.00    +0.004 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1        1.460  -3.669  -0.005  0.00  0.00    +0.133 C 
BRANCH  22  24
ATOM     23  O   LIG    1        1.351  -3.998   2.410  0.00  0.00    -0.251 OA
ATOM     24  C   LIG    1        1.301  -4.445   1.276  0.00  0.00    +0.305 C 
BRANCH  24  25
ATOM     25  O   LIG    1        1.151  -5.764   1.058  0.00  0.00    -0.481 OA
ATOM     26  H   LIG    1        1.030  -6.144   1.953  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
BRANCH   4  27
ATOM     27  C   LIG    1       -2.364  -0.469   0.268  0.00  0.00    +0.105 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.213  -1.253  -0.716  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1       -3.099  -1.013  -2.203  0.00  0.00    +0.006 C 
ATOM     30  C   LIG    1       -4.335  -0.577  -1.469  0.00  0.00    +0.006 C 
ENDBRANCH  27  28
BRANCH  27  31
ATOM     31  C   LIG    1       -2.825  -0.654   1.736  0.00  0.00    +0.178 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -2.913  -2.002   2.186  0.00  0.00    -0.393 OA
ATOM     33  H   LIG    1       -2.318  -2.552   1.633  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  27  31
ENDBRANCH   4  27
TORSDOF 9