REMARK  Name = BDB040376
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.792  -1.175   1.747  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.590  -0.591   1.615  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        1.544  -1.204   0.799  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        2.820  -0.648   0.634  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1        3.900  -1.537  -0.388  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        3.185   0.554   1.277  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        2.215   1.151   2.111  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        2.523   2.596   3.015  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        0.939   0.592   2.270  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1        4.562   1.193   1.101  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        4.944   1.422  -0.359  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        4.137   1.771  -1.219  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1        6.279   1.305  -0.667  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1        6.521   1.474  -1.634  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        7.335   1.224   0.203  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        8.492   1.329  -0.193  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        6.994   1.099   1.668  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1        5.646   0.424   1.865  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1       -1.795  -1.754  -0.438  0.00  0.00    +0.223 C 
ATOM     20  N   LIG    1       -1.583  -0.852   0.584  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.917   0.098   0.483  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -1.385  -2.912  -0.385  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -2.803  -2.311  -2.689  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1       -2.558  -1.183  -1.663  0.00  0.00    +0.066 C 
ATOM     25  C   LIG    1       -1.614  -0.154  -2.326  0.00  0.00    +0.025 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -3.926  -0.607  -1.240  0.00  0.00    -0.029 A 
ATOM     27  C   LIG    1       -4.347   0.681  -1.632  0.00  0.00    +0.053 A 
ATOM     28  C   LIG    1       -5.602   1.091  -1.189  0.00  0.00    +0.155 A 
ATOM     29  C   LIG    1       -6.455   0.333  -0.406  0.00  0.00    +0.109 A 
ATOM     30  N   LIG    1       -7.604   1.038  -0.150  0.00  0.00    -0.216 NA
ATOM     31  C   LIG    1       -7.406   2.174  -0.782  0.00  0.00    +0.309 A 
ATOM     32  C   LIG    1       -6.053  -0.948  -0.021  0.00  0.00    +0.032 A 
ATOM     33  O   LIG    1       -6.214   2.286  -1.435  0.00  0.00    -0.442 OA
ATOM     34  C   LIG    1       -4.792  -1.401  -0.447  0.00  0.00    +0.007 A 
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 5