REMARK  Name = BDB009626
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.991  -0.700   0.077  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1        0.196   0.550   0.024  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1       -1.343   0.368  -0.168  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -1.738  -1.075  -0.488  0.00  0.00    +0.027 C 
ATOM      5  C   LIG    1       -1.091  -2.090   0.471  0.00  0.00    +0.058 C 
ATOM      6  C   LIG    1        0.432  -1.965   0.295  0.00  0.00    +0.223 C 
ATOM      7  O   LIG    1        1.135  -2.978   0.344  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1        0.450   1.479   1.220  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1        0.247   2.865   1.072  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1        0.438   3.739   2.144  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        0.835   3.240   3.381  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1        1.072   4.315   4.702  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        1.043   1.875   3.552  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        0.851   1.001   2.478  0.00  0.00    +0.007 A 
ENDBRANCH   2   8
BRANCH   3  15
ATOM     15  C   LIG    1       -1.924   1.317  -1.217  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -2.884   2.270  -0.840  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -3.418   3.147  -1.785  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -4.586   4.314  -1.301  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -3.010   3.088  -3.115  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -2.061   2.144  -3.503  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -1.522   1.264  -2.562  0.00  0.00    +0.004 A 
ENDBRANCH   3  15
BRANCH   5  22
ATOM     22  C   LIG    1       -1.505  -3.530   0.011  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1       -2.993  -3.857   0.075  0.00  0.00    +0.005 C 
ENDBRANCH   5  22
BRANCH   1  24
ATOM     24  C   LIG    1        2.390  -0.701  -0.460  0.00  0.00    +0.076 C 
BRANCH  24  26
ATOM     25  C   LIG    1        3.700  -1.310  -2.579  0.00  0.00    +0.006 C 
ATOM     26  C   LIG    1        2.359  -0.885  -1.996  0.00  0.00    +0.019 C 
ENDBRANCH  24  26
BRANCH  24  27
ATOM     27  C   LIG    1        3.334   0.422   0.033  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1        3.360   1.728  -0.751  0.00  0.00    +0.006 C 
ENDBRANCH  24  27
ENDBRANCH   1  24
BRANCH   5  29
ATOM     29  C   LIG    1       -1.485  -1.837   1.939  0.00  0.00    +0.136 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -0.905  -2.846   2.895  0.00  0.00    +0.306 C 
ATOM     31  O   LIG    1       -1.418  -3.901   3.228  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1        0.294  -2.475   3.378  0.00  0.00    -0.481 OA
ATOM     33  H   LIG    1        0.591  -3.251   3.900  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH   5  29
TORSDOF 9