REMARK  Name = BDB009783
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.990   0.341  -0.340  0.00  0.00    -0.288 N 
ATOM      2  C   LIG    1       -0.285  -0.368  -0.053  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1       -1.449   0.525   0.482  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -0.951   1.902   0.918  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1       -0.145   2.590  -0.198  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1        0.371   3.925   0.392  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        1.066   1.720  -0.554  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1        2.078   2.250  -1.019  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -0.804  -1.169  -1.253  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -1.493  -2.376  -1.033  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -2.008  -3.114  -2.101  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -1.845  -2.652  -3.404  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -2.481  -3.559  -4.720  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -1.170  -1.460  -3.646  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.655  -0.722  -2.577  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1       -2.268  -0.154   1.579  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1       -1.747  -0.391   2.861  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -2.519  -1.030   3.833  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -1.855  -1.313   5.395  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -3.817  -1.443   3.548  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -4.348  -1.214   2.281  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.580  -0.576   1.305  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  C   LIG    1        2.297  -0.405  -0.321  0.00  0.00    +0.107 C 
BRANCH  23  25
ATOM     24  C   LIG    1        3.741   1.023   1.276  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1        3.054  -0.332   1.055  0.00  0.00    +0.006 C 
ATOM     26  C   LIG    1        2.197  -0.639   2.283  0.00  0.00    +0.009 C 
ENDBRANCH  23  25
BRANCH  23  27
ATOM     27  C   LIG    1        2.337  -1.829  -0.973  0.00  0.00    +0.132 C 
ATOM     28  C   LIG    1        2.003  -3.017  -0.082  0.00  0.00    +0.039 C 
BRANCH  27  29
ATOM     29  O   LIG    1        3.669  -2.083  -1.462  0.00  0.00    -0.390 OA
ATOM     30  H   LIG    1        3.851  -1.433  -2.164  0.00  0.00    +0.210 HD
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH   1  23
BRANCH   5  31
ATOM     31  C   LIG    1       -1.004   2.873  -1.446  0.00  0.00    +0.136 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -0.262   3.582  -2.549  0.00  0.00    +0.306 C 
ATOM     33  O   LIG    1       -0.122   4.787  -2.663  0.00  0.00    -0.251 OA
BRANCH  32  34
ATOM     34  O   LIG    1        0.262   2.732  -3.450  0.00  0.00    -0.481 OA
ATOM     35  H   LIG    1        0.789   3.313  -4.039  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH   5  31
TORSDOF 9