REMARK  Name = BDB034468
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.334   0.666   1.988  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -2.505   0.056   1.362  0.00  0.00    -0.343 N 
ATOM      3  H   LIG    1       -2.272  -0.863   0.995  0.00  0.00    +0.146 HD
BRANCH   2   4
ATOM      4  C   LIG    1       -3.394   0.768   0.543  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1       -4.339   0.077  -0.274  0.00  0.00    +0.021 A 
ATOM      6  C   LIG    1       -5.231   0.851  -1.058  0.00  0.00    +0.074 A 
ATOM      7  C   LIG    1       -6.146   0.217  -1.885  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -6.220  -1.170  -1.953  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -5.375  -1.954  -1.184  0.00  0.00    +0.021 A 
ATOM     10 CL   LIG    1       -7.372  -1.919  -2.989  0.00  0.00    -0.083 Cl
ATOM     11  N   LIG    1       -5.247   2.190  -1.039  0.00  0.00    -0.255 NA
ATOM     12  C   LIG    1       -4.392   2.815  -0.210  0.00  0.00    +0.113 A 
ATOM     13  C   LIG    1       -4.444  -1.336  -0.349  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -3.477   2.161   0.592  0.00  0.00    +0.043 A 
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -0.240   1.041   0.984  0.00  0.00    +0.034 C 
BRANCH  15  16
ATOM     16  C   LIG    1        0.270  -0.119   0.120  0.00  0.00    +0.083 C 
BRANCH  16  17
ATOM     17  N   LIG    1        0.725  -1.298   0.861  0.00  0.00    -0.312 NA
ATOM     18  H   LIG    1        0.919  -2.044   0.193  0.00  0.00    +0.122 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.935  -1.086   1.662  0.00  0.00    +0.116 C 
BRANCH  19  23
ATOM     20  C   LIG    1        5.506  -0.557  -0.727  0.00  0.00    +0.120 A 
ATOM     21  C   LIG    1        4.929  -1.820  -0.582  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        3.779  -1.996   0.191  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        3.185  -0.903   0.836  0.00  0.00    -0.033 A 
ATOM     24  C   LIG    1        3.768   0.363   0.687  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        4.920   0.535  -0.088  0.00  0.00    +0.046 A 
BRANCH  20  27
ATOM     26  C   LIG    1        7.253   0.737  -1.688  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        6.627  -0.527  -1.510  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
ENDBRANCH  19  23
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 8