REMARK  Name = BDB040429
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.111  -0.769  -2.036  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.351  -0.613  -1.724  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        1.852   0.605  -1.261  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        3.212   0.765  -0.946  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1        3.635   2.329  -0.344  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        4.128  -0.297  -1.091  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        3.591  -1.533  -1.530  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        4.558  -2.966  -1.689  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        2.232  -1.685  -1.841  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1        5.626  -0.201  -0.789  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        6.307   1.106  -1.170  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        6.312   1.535  -2.322  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1        6.917   1.810  -0.161  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1        7.354   2.678  -0.442  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        6.721   1.671   1.190  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        7.128   2.519   1.979  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        5.915   0.478   1.638  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1        5.998  -0.653   0.629  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1       -2.250  -0.911  -0.854  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1       -0.870  -0.965  -0.822  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -0.418  -1.463  -0.068  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -2.848  -0.657  -1.898  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -2.960  -2.818   0.509  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1       -2.976  -1.267   0.474  0.00  0.00    +0.067 C 
ATOM     25  C   LIG    1       -2.208  -0.794   1.732  0.00  0.00    +0.025 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -4.401  -0.645   0.527  0.00  0.00    -0.022 A 
ATOM     27  C   LIG    1       -4.646   0.766   0.391  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.988   1.213   0.518  0.00  0.00    +0.071 A 
ATOM     29  C   LIG    1       -6.281   2.566   0.407  0.00  0.00    +0.028 A 
ATOM     30  C   LIG    1       -5.296   3.521   0.166  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -3.981   3.115   0.027  0.00  0.00    +0.001 A 
ATOM     32  N   LIG    1       -7.023   0.396   0.747  0.00  0.00    -0.255 NA
ATOM     33  C   LIG    1       -6.774  -0.919   0.850  0.00  0.00    +0.112 A 
ATOM     34  C   LIG    1       -3.662   1.760   0.136  0.00  0.00    +0.010 A 
ATOM     35  C   LIG    1       -5.513  -1.474   0.753  0.00  0.00    +0.025 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 5