REMARK  Name = BDB008234
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.019   0.120  -0.256  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1       -0.087  -0.448   0.525  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        1.157   0.066   0.538  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        1.519   1.163  -0.222  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1        0.549   1.754  -1.031  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -0.742   1.223  -1.049  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        0.870   2.903  -1.853  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        1.412   4.082  -1.389  0.00  0.00    +0.142 A 
ATOM      9  C   LIG    1        1.840   4.587  -0.069  0.00  0.00    +0.090 C 
ATOM     10  O   LIG    1        1.558   4.947  -2.430  0.00  0.00    -0.359 OA
ATOM     11  N   LIG    1        1.111   4.354  -3.595  0.00  0.00    -0.083 NA
ATOM     12  C   LIG    1        0.710   3.125  -3.248  0.00  0.00    +0.088 A 
ATOM     13  C   LIG    1        0.191   2.200  -4.282  0.00  0.00    +0.070 C 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     14  C   LIG    1       -2.782  -1.499   0.392  0.00  0.00    +0.235 C 
ATOM     15  N   LIG    1       -2.318  -0.385  -0.285  0.00  0.00    -0.269 N 
ATOM     16  H   LIG    1       -3.001   0.032  -0.910  0.00  0.00    +0.156 HD
ATOM     17  O   LIG    1       -2.142  -2.225   1.146  0.00  0.00    -0.274 OA
BRANCH  14  18
ATOM     18  C   LIG    1       -4.301  -1.705   0.139  0.00  0.00    +0.137 C 
ATOM     19  C   LIG    1       -4.680  -3.172   0.333  0.00  0.00    +0.034 C 
BRANCH  18  21
ATOM     20  C   LIG    1       -6.062  -0.933  -1.369  0.00  0.00    +0.101 C 
ATOM     21  N   LIG    1       -4.636  -1.204  -1.224  0.00  0.00    -0.309 NA
ATOM     22  H   LIG    1       -4.368  -1.922  -1.903  0.00  0.00    +0.122 HD
ENDBRANCH  18  21
ENDBRANCH  14  18
ENDBRANCH   1  15
BRANCH   3  23
ATOM     23  N   LIG    1        2.010  -0.626   1.396  0.00  0.00    -0.265 N 
ATOM     24  H   LIG    1        1.545  -1.429   1.800  0.00  0.00    +0.157 HD
ATOM     25  C   LIG    1        3.336  -0.371   1.672  0.00  0.00    +0.268 C 
ATOM     26  O   LIG    1        4.008   0.533   1.188  0.00  0.00    -0.268 OA
BRANCH  25  27
ATOM     27  C   LIG    1        3.958  -1.310   2.663  0.00  0.00    +0.126 A 
ATOM     28  N   LIG    1        5.223  -1.718   2.386  0.00  0.00    -0.249 NA
ATOM     29  C   LIG    1        5.804  -2.561   3.273  0.00  0.00    +0.131 A 
ATOM     30  C   LIG    1        5.181  -3.018   4.424  0.00  0.00    +0.059 A 
ATOM     31 CL   LIG    1        5.983  -4.088   5.498  0.00  0.00    -0.082 Cl
ATOM     32  C   LIG    1        3.886  -2.585   4.692  0.00  0.00    +0.024 A 
ATOM     33  C   LIG    1        3.259  -1.714   3.801  0.00  0.00    +0.034 A 
ENDBRANCH  25  27
ENDBRANCH   3  23
TORSDOF 6