REMARK  Name = BDB032799
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.045  -2.729   0.176  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1       -0.704  -1.676   0.722  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -1.804  -1.235   0.010  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -2.759  -0.173   0.348  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1       -3.630  -0.059  -0.727  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -3.417  -1.112  -1.711  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -2.765   0.448   1.392  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.186  -1.787  -1.211  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -1.455  -2.820  -1.767  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -0.333  -3.286  -1.069  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.862   0.722  -0.706  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -5.948   0.027   0.129  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -6.048  -1.195   0.231  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -6.906   0.849   0.676  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -7.640   0.387   1.195  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -7.059   2.201   0.496  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -8.054   2.786   0.913  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -5.997   2.901  -0.319  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -4.668   2.166  -0.243  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1        1.267  -3.243   0.895  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.444  -2.759   0.237  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1        4.082  -1.306   0.011  0.00  0.00    -0.250 N 
ATOM     23  H   LIG    1        4.241  -1.924  -0.776  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1        3.002  -1.643   0.774  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1        2.585  -1.072   1.768  0.00  0.00    -0.226 OA
BRANCH  22  31
ATOM     26  C   LIG    1        7.833   3.026   0.455  0.00  0.00    +0.045 C 
ATOM     27  C   LIG    1        6.835   1.906   0.368  0.00  0.00    -0.031 A 
ATOM     28  C   LIG    1        5.794   1.764   1.298  0.00  0.00    +0.046 A 
ATOM     29 CL   LIG    1        5.602   2.880   2.604  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1        4.874   0.711   1.197  0.00  0.00    +0.045 A 
ATOM     31  C   LIG    1        4.976  -0.225   0.164  0.00  0.00    +0.056 A 
ATOM     32  C   LIG    1        6.019  -0.083  -0.768  0.00  0.00    +0.063 A 
ATOM     33 CL   LIG    1        6.208  -1.204  -2.075  0.00  0.00    -0.082 Cl
ATOM     34  C   LIG    1        6.937   0.967  -0.668  0.00  0.00    +0.026 A 
ENDBRANCH  22  31
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 5