REMARK  Name = BDB009036
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.326   0.945  -1.518  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.657   1.518  -0.698  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -1.896   1.929  -1.218  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -2.128   1.789  -2.591  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.156   1.221  -3.413  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        0.063   0.797  -2.879  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        2.760  -0.330  -2.673  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        2.636  -0.035  -1.490  0.00  0.00    +0.218 C 
ATOM      9  N   LIG    1        1.531   0.555  -0.898  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1        1.587   0.726   0.099  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        3.734  -0.296  -0.474  0.00  0.00    +0.101 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.958  -0.946  -1.113  0.00  0.00    +0.044 C 
BRANCH  12  13
ATOM     13  C   LIG    1        6.043  -1.197  -0.093  0.00  0.00    -0.047 A 
ATOM     14  C   LIG    1        6.077  -2.401   0.625  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        7.067  -2.624   1.583  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        8.025  -1.643   1.831  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1        9.245  -1.918   3.013  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1        8.001  -0.441   1.128  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        7.010  -0.217   0.169  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1       -2.945   2.559  -0.329  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.233   1.761   0.940  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -4.202   0.622   0.893  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -4.875   0.231  -0.393  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -5.585  -1.125  -0.323  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -6.351  -1.280   0.985  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -5.413  -1.156   2.186  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -4.435  -0.022   2.051  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -3.719   0.385   3.286  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -3.893  -0.190   4.355  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -2.853   1.436   3.157  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -2.363   1.737   3.993  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -2.603   2.132   2.016  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6