REMARK  Name = BDB009649
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.408   1.205   1.227  0.00  0.00    +0.021 C 
ATOM      2  C   LIG    1       -2.257   1.034  -0.297  0.00  0.00    +0.055 C 
ATOM      3  C   LIG    1       -1.116   1.944  -0.778  0.00  0.00    +0.228 C 
ATOM      4  O   LIG    1       -1.386   3.021  -1.314  0.00  0.00    -0.275 OA
ATOM      5  N   LIG    1        0.184   1.534  -0.473  0.00  0.00    -0.247 N 
ATOM      6  C   LIG    1        0.468   0.173   0.052  0.00  0.00    +0.120 C 
ATOM      7  C   LIG    1       -0.525  -0.905  -0.479  0.00  0.00    +0.045 C 
ATOM      8  C   LIG    1       -1.968  -0.419  -0.691  0.00  0.00    +0.026 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        1.183   2.544  -0.235  0.00  0.00    +0.133 A 
ATOM     10  N   LIG    1        2.028   2.342   0.792  0.00  0.00    -0.202 NA
ATOM     11  C   LIG    1        2.962   3.280   0.992  0.00  0.00    +0.224 A 
ATOM     12 CL   LIG    1        4.035   3.007   2.290  0.00  0.00    -0.041 Cl
ATOM     13  N   LIG    1        3.139   4.404   0.294  0.00  0.00    -0.226 NA
ATOM     14  C   LIG    1        2.278   4.574  -0.718  0.00  0.00    +0.117 A 
ATOM     15  C   LIG    1        1.282   3.673  -1.030  0.00  0.00    +0.064 A 
ENDBRANCH   5   9
BRANCH   6  16
ATOM     16  C   LIG    1        1.890  -0.316  -0.302  0.00  0.00    -0.026 A 
ATOM     17  C   LIG    1        2.379  -0.256  -1.620  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        3.662  -0.717  -1.922  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        4.465  -1.244  -0.913  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1        6.045  -1.811  -1.288  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1        3.996  -1.315   0.397  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        2.714  -0.855   0.701  0.00  0.00    +0.007 A 
ENDBRANCH   6  16
BRANCH   7  23
ATOM     23  C   LIG    1       -0.491  -2.188   0.352  0.00  0.00    -0.041 A 
ATOM     24  C   LIG    1       -0.007  -3.376  -0.223  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        0.050  -4.553   0.524  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1        0.651  -5.994  -0.198  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -0.374  -4.569   1.850  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -0.857  -3.399   2.433  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -0.915  -2.217   1.690  0.00  0.00    +0.004 A 
ENDBRANCH   7  23
BRANCH   2  30
ATOM     30  C   LIG    1       -3.569   1.514  -0.980  0.00  0.00    +0.136 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -4.774   0.672  -0.668  0.00  0.00    +0.306 C 
ATOM     32  O   LIG    1       -5.093  -0.362  -1.228  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -5.503   1.156   0.353  0.00  0.00    -0.481 OA
ATOM     34  H   LIG    1       -6.252   0.528   0.437  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  30  31
ENDBRANCH   2  30
TORSDOF 6