REMARK  Name = BDB018529
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.964   6.245  -1.868  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        1.223   5.093  -1.376  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -0.021   5.286  -0.794  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -0.574   6.371  -0.643  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -0.712   4.057  -0.330  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -0.152   2.842  -0.470  0.00  0.00    -0.001 A 
ATOM      7  C   LIG    1        1.178   2.708  -1.100  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        1.785   3.836  -1.521  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -0.951   1.707   0.021  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1       -1.503   0.761  -0.815  0.00  0.00    +0.124 A 
ATOM     11  N   LIG    1       -2.164  -0.333  -0.382  0.00  0.00    -0.222 NA
ATOM     12  C   LIG    1       -2.296  -0.502   0.945  0.00  0.00    +0.218 A 
ATOM     13  N   LIG    1       -1.796   0.370   1.837  0.00  0.00    -0.222 NA
ATOM     14  C   LIG    1       -1.145   1.452   1.361  0.00  0.00    +0.124 A 
BRANCH  12  15
ATOM     15  N   LIG    1       -2.921  -1.630   1.408  0.00  0.00    -0.300 N 
ATOM     16  C   LIG    1       -3.774  -2.410   0.523  0.00  0.00    +0.108 C 
ATOM     17  C   LIG    1       -4.844  -2.988   1.453  0.00  0.00    +0.020 C 
ATOM     18  C   LIG    1       -4.177  -2.984   2.821  0.00  0.00    +0.020 C 
ATOM     19  C   LIG    1       -3.362  -1.694   2.789  0.00  0.00    +0.108 C 
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   7  20
ATOM     20  C   LIG    1        1.809   1.431  -1.285  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1        1.889   0.400  -0.376  0.00  0.00    +0.123 A 
ATOM     22  N   LIG    1        2.513  -0.661  -1.005  0.00  0.00    -0.238 N 
ATOM     23  N   LIG    1        2.937  -0.303  -2.235  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1        2.495   0.941  -2.410  0.00  0.00    +0.143 A 
BRANCH  22  25
ATOM     25  C   LIG    1        2.673  -1.992  -0.514  0.00  0.00    +0.084 A 
ATOM     26  C   LIG    1        3.568  -2.915  -1.106  0.00  0.00    +0.095 A 
ATOM     27  C   LIG    1        3.624  -4.224  -0.587  0.00  0.00    +0.060 A 
ATOM     28 CL   LIG    1        4.686  -5.434  -1.234  0.00  0.00    -0.082 Cl
ATOM     29  C   LIG    1        2.821  -4.611   0.490  0.00  0.00    +0.021 A 
ATOM     30  C   LIG    1        1.949  -3.700   1.071  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        1.873  -2.399   0.576  0.00  0.00    +0.029 A 
BRANCH  26  32
ATOM     32  C   LIG    1        4.473  -2.570  -2.173  0.00  0.00    +0.103 C 
ATOM     33  N   LIG    1        5.248  -2.349  -3.010  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH  22  25
ENDBRANCH   7  20
TORSDOF 5