REMARK  Name = BDB003368
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.148   0.009  -0.162  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -1.353   2.968   1.210  0.00  0.00    +0.065 C 
ATOM      3  C   LIG    1       -1.938   2.486  -0.076  0.00  0.00    +0.039 A 
ATOM      4  C   LIG    1       -1.821   1.264  -0.632  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1       -2.533   1.381  -1.927  0.00  0.00    +0.269 A 
ATOM      6  O   LIG    1       -2.796   0.476  -2.695  0.00  0.00    -0.266 OA
ATOM      7  N   LIG    1       -2.877   2.715  -2.080  0.00  0.00    -0.266 N 
ATOM      8  H   LIG    1       -3.682   2.945  -2.653  0.00  0.00    +0.190 HD
ATOM      9  N   LIG    1       -2.666   3.366  -0.867  0.00  0.00    -0.301 N 
ATOM     10  H   LIG    1       -2.213   4.280  -0.954  0.00  0.00    +0.186 HD
ENDBRANCH   1   4
BRANCH   1  11
ATOM     11  C   LIG    1       -2.086  -1.160  -0.118  0.00  0.00    +0.053 A 
ATOM     12  C   LIG    1       -2.156  -2.258  -1.116  0.00  0.00    +0.269 A 
ATOM     13  O   LIG    1       -1.379  -2.490  -2.022  0.00  0.00    -0.266 OA
ATOM     14  N   LIG    1       -3.260  -3.033  -0.788  0.00  0.00    -0.266 N 
ATOM     15  H   LIG    1       -3.251  -4.009  -1.063  0.00  0.00    +0.190 HD
ATOM     16  N   LIG    1       -3.695  -2.665   0.482  0.00  0.00    -0.301 N 
ATOM     17  H   LIG    1       -4.711  -2.573   0.562  0.00  0.00    +0.186 HD
ATOM     18  C   LIG    1       -3.030  -1.486   0.790  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1       -3.431  -0.721   2.008  0.00  0.00    +0.065 C 
ENDBRANCH   1  11
BRANCH   1  20
ATOM     20  C   LIG    1        0.207  -0.199  -0.782  0.00  0.00    +0.118 A 
ATOM     21  O   LIG    1        1.264  -0.253   0.082  0.00  0.00    -0.459 OA
ATOM     22  C   LIG    1        2.401  -0.424  -0.657  0.00  0.00    +0.135 A 
ATOM     23  C   LIG    1        2.070  -0.465  -1.997  0.00  0.00    +0.050 A 
ATOM     24  C   LIG    1        0.665  -0.312  -2.078  0.00  0.00    +0.046 A 
BRANCH  22  25
ATOM     25  C   LIG    1        3.653  -0.519   0.092  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1        3.671  -0.421   1.492  0.00  0.00    +0.031 A 
ATOM     27  C   LIG    1        4.874  -0.511   2.193  0.00  0.00    +0.042 A 
ATOM     28 CL   LIG    1        4.872  -0.384   3.910  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        6.076  -0.702   1.518  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        6.076  -0.803   0.129  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        4.872  -0.713  -0.577  0.00  0.00    +0.011 A 
ENDBRANCH  22  25
ENDBRANCH   1  20
TORSDOF 4