REMARK  Name = BDB032698
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.081   2.264   0.338  0.00  0.00    -0.007 A 
ATOM      2  C   LIG    1       -0.802   1.227   0.682  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -2.106   1.310   0.231  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -3.215   0.373   0.437  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -4.336   0.944  -0.146  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -4.005   2.153  -0.889  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -3.119  -0.698   1.005  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.571   2.369  -0.543  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -1.720   3.401  -0.893  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -0.393   3.345  -0.446  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.599   0.246  -0.358  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -5.489  -0.768  -1.508  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -4.746  -0.618  -2.477  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.370  -1.825  -1.465  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.319  -2.474  -2.239  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.373  -2.051  -0.557  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -8.175  -2.967  -0.716  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -7.492  -1.066   0.583  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -6.150  -0.425   0.900  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        1.527   2.246   0.806  0.00  0.00    +0.205 C 
ATOM     21  C   LIG    1        1.615   2.541   2.303  0.00  0.00    +0.057 C 
BRANCH  20  22
ATOM     22  O   LIG    1        2.058   0.937   0.528  0.00  0.00    -0.442 OA
BRANCH  22  25
ATOM     23  N   LIG    1        3.726  -0.443   0.135  0.00  0.00    -0.251 N 
ATOM     24  H   LIG    1        2.917  -1.047   0.073  0.00  0.00    +0.158 HD
ATOM     25  C   LIG    1        3.408   0.857   0.406  0.00  0.00    +0.405 C 
ATOM     26  O   LIG    1        4.164   1.808   0.527  0.00  0.00    -0.226 OA
BRANCH  23  32
ATOM     27  C   LIG    1        8.816  -2.956  -0.679  0.00  0.00    +0.045 C 
ATOM     28  C   LIG    1        7.481  -2.302  -0.468  0.00  0.00    -0.032 A 
ATOM     29  C   LIG    1        6.280  -3.021  -0.534  0.00  0.00    +0.046 A 
ATOM     30 CL   LIG    1        6.263  -4.718  -0.865  0.00  0.00    -0.083 Cl
ATOM     31  C   LIG    1        5.051  -2.383  -0.332  0.00  0.00    +0.043 A 
ATOM     32  C   LIG    1        4.996  -1.012  -0.060  0.00  0.00    +0.038 A 
ATOM     33  C   LIG    1        6.187  -0.291   0.004  0.00  0.00    +0.024 A 
ATOM     34  C   LIG    1        7.417  -0.928  -0.197  0.00  0.00    +0.006 A 
ENDBRANCH  23  32
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 5