REMARK  Name = BDB012426
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.020   0.298  -1.526  0.00  0.00    -0.231 N 
ATOM      2  C   LIG    1        0.834  -0.287  -1.189  0.00  0.00    +0.083 A 
ATOM      3  C   LIG    1       -0.024  -0.477  -0.002  0.00  0.00    +0.161 C 
ATOM      4  N   LIG    1       -1.129  -1.301  -0.617  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -0.955  -1.447  -2.026  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -1.650  -2.008  -2.854  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1        0.282  -0.799  -2.322  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1        1.143  -0.470  -3.358  0.00  0.00    +0.073 A 
ATOM      9  C   LIG    1        1.008  -0.766  -4.803  0.00  0.00    +0.068 C 
ATOM     10  N   LIG    1        2.189   0.231  -2.885  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -2.186  -1.856   0.113  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -3.276  -2.403  -0.461  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -4.332  -2.935   0.268  0.00  0.00    -0.315 N 
ATOM     14  C   LIG    1       -5.468  -3.478  -0.464  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -4.359  -2.936   1.663  0.00  0.00    +0.270 A 
ATOM     16  O   LIG    1       -5.293  -3.374   2.331  0.00  0.00    -0.266 OA
ATOM     17  C   LIG    1       -3.140  -2.362   2.312  0.00  0.00    +0.107 A 
ATOM     18 CL   LIG    1       -3.045  -2.370   4.032  0.00  0.00    -0.078 Cl
ATOM     19  C   LIG    1       -2.139  -1.871   1.568  0.00  0.00    +0.050 A 
ENDBRANCH   4  11
BRANCH   3  20
ATOM     20  C   LIG    1       -0.532   0.840   0.573  0.00  0.00    -0.021 A 
ATOM     21  C   LIG    1       -1.275   1.746  -0.207  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -1.732   2.951   0.333  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -1.453   3.266   1.659  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -2.015   4.748   2.325  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -0.724   2.384   2.451  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -0.267   1.177   1.912  0.00  0.00    +0.007 A 
ENDBRANCH   3  20
BRANCH   1  30
ATOM     27  C   LIG    1        4.973   2.054   0.736  0.00  0.00    +0.318 A 
ATOM     28  N   LIG    1        5.042   2.183  -0.595  0.00  0.00    -0.201 NA
ATOM     29  C   LIG    1        4.058   1.592  -1.307  0.00  0.00    +0.145 A 
ATOM     30  C   LIG    1        3.016   0.893  -0.732  0.00  0.00    +0.102 A 
ATOM     31  C   LIG    1        3.058   0.805   0.639  0.00  0.00    +0.145 A 
ATOM     32  N   LIG    1        4.017   1.378   1.399  0.00  0.00    -0.201 NA
BRANCH  27  34
ATOM     33  C   LIG    1        5.868   2.537   2.838  0.00  0.00    +0.280 C 
ATOM     34  O   LIG    1        5.989   2.672   1.429  0.00  0.00    -0.466 OA
ENDBRANCH  27  34
ENDBRANCH   1  30
TORSDOF 4