REMARK  Name = BDB055768
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.713  -1.342  -0.023  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        0.671  -1.630  -0.053  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        1.115  -2.954  -0.027  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        0.203  -4.010   0.076  0.00  0.00    +0.026 A 
ATOM      5  C   LIG    1       -1.164  -3.727   0.048  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -1.621  -2.406   0.017  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -4.864   1.812   0.519  0.00  0.00    +0.105 C 
ATOM      8  N   LIG    1       -3.516   1.837  -0.040  0.00  0.00    -0.302 NA
ATOM      9  C   LIG    1       -3.335   0.738  -1.015  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1       -1.856   0.388  -1.291  0.00  0.00    +0.120 C 
ATOM     11  N   LIG    1       -1.125   0.014  -0.053  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1       -1.788   0.435   1.203  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1       -2.478   1.804   1.016  0.00  0.00    +0.103 C 
ENDBRANCH   1  11
BRANCH   2  14
ATOM     14  N   LIG    1        1.525  -0.509  -0.125  0.00  0.00    -0.280 N 
ATOM     15  H   LIG    1        0.999   0.361  -0.182  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1        2.898  -0.474  -0.131  0.00  0.00    +0.250 C 
ATOM     17  O   LIG    1        3.658  -1.431  -0.023  0.00  0.00    -0.270 OA
BRANCH  16  18
ATOM     18  C   LIG    1        3.499   0.886  -0.193  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1        3.075   1.899  -1.063  0.00  0.00    +0.053 A 
ATOM     20 CL   LIG    1        1.823   1.684  -2.235  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1        3.703   3.150  -1.032  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1        4.756   3.393  -0.149  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        5.194   2.384   0.704  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        4.572   1.135   0.679  0.00  0.00    +0.014 A 
ENDBRANCH  16  18
ENDBRANCH   2  14
BRANCH   4  25
ATOM     25  N   LIG    1        0.646  -5.336  -0.016  0.00  0.00    -0.358 N 
ATOM     26  H   LIG    1        0.015  -6.013   0.400  0.00  0.00    +0.142 HD
ATOM     27  H   LIG    1        1.607  -5.461   0.290  0.00  0.00    +0.142 HD
ENDBRANCH   4  25
TORSDOF 4