REMARK  Name = BDB034664
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.727   0.150  -0.202  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1       -0.547  -0.445  -0.147  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -1.465   0.051   0.759  0.00  0.00    +0.072 A 
ATOM      4  N   LIG    1       -2.787  -0.344   1.028  0.00  0.00    -0.292 N 
ATOM      5  C   LIG    1       -3.276   0.424   2.113  0.00  0.00    +0.330 A 
ATOM      6  N   LIG    1       -2.254   1.340   2.438  0.00  0.00    -0.295 N 
ATOM      7  C   LIG    1       -2.303   2.295   3.507  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.359   0.316   2.666  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -1.145   1.098   1.621  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        0.092   1.702   1.601  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        1.028   1.217   0.677  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        1.675  -0.383  -1.102  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        1.241  -0.828  -1.909  0.00  0.00    +0.152 HD
BRANCH  12  19
ATOM     14  C   LIG    1        5.183  -0.302   0.103  0.00  0.00    +0.129 A 
ATOM     15  N   LIG    1        5.919  -0.346  -1.035  0.00  0.00    -0.229 NA
ATOM     16  C   LIG    1        5.221  -0.416  -2.188  0.00  0.00    +0.149 A 
ATOM     17 CL   LIG    1        6.253  -0.465  -3.568  0.00  0.00    -0.061 Cl
ATOM     18  C   LIG    1        3.834  -0.444  -2.275  0.00  0.00    +0.110 A 
ATOM     19  C   LIG    1        3.089  -0.403  -1.080  0.00  0.00    +0.054 A 
ATOM     20  C   LIG    1        3.795  -0.329   0.127  0.00  0.00    +0.057 A 
BRANCH  14  24
ATOM     21  C   LIG    1        8.221  -0.223   2.353  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1        7.319  -0.186   1.233  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1        7.677  -0.306   0.289  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1        5.950  -0.222   1.388  0.00  0.00    +0.262 C 
ATOM     25  O   LIG    1        5.375  -0.197   2.469  0.00  0.00    -0.269 OA
ENDBRANCH  14  24
BRANCH  18  26
ATOM     26  C   LIG    1        3.184  -0.512  -3.546  0.00  0.00    +0.104 C 
ATOM     27  N   LIG    1        2.608  -0.586  -4.551  0.00  0.00    -0.191 NA
ENDBRANCH  18  26
ENDBRANCH  12  19
ENDBRANCH   1  12
BRANCH   4  28
ATOM     28  C   LIG    1       -3.477  -1.461   0.420  0.00  0.00    +0.130 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.819  -1.257  -1.064  0.00  0.00    +0.056 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -5.207  -0.651  -1.352  0.00  0.00    +0.062 C 
ATOM     31  C   LIG    1       -5.409   0.724  -0.717  0.00  0.00    +0.041 C 
ATOM     32  C   LIG    1       -5.415  -0.555  -2.868  0.00  0.00    +0.041 C 
BRANCH  30  33
ATOM     33  O   LIG    1       -6.193  -1.552  -0.843  0.00  0.00    -0.389 OA
ATOM     34  H   LIG    1       -7.060  -1.112  -0.897  0.00  0.00    +0.210 HD
ENDBRANCH  30  33
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   4  28
TORSDOF 8