REMARK  Name = BDB034666
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.924  -1.468   0.523  0.00  0.00    -0.313 N 
ATOM      2  H   LIG    1        0.650  -2.446   0.426  0.00  0.00    +0.152 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -3.894   3.112   0.131  0.00  0.00    +0.154 C 
ATOM      4  N   LIG    1       -3.513   1.793  -0.281  0.00  0.00    -0.295 N 
ATOM      5  C   LIG    1       -2.319   1.150   0.062  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1       -2.321  -0.110  -0.536  0.00  0.00    +0.071 A 
ATOM      7  C   LIG    1       -1.268  -0.990  -0.385  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -0.174  -0.588   0.403  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -0.189   0.696   1.000  0.00  0.00    +0.025 A 
ATOM     10  N   LIG    1       -3.517  -0.244  -1.251  0.00  0.00    -0.295 N 
ATOM     11  C   LIG    1       -3.907  -1.395  -2.012  0.00  0.00    +0.154 C 
ATOM     12  C   LIG    1       -1.266   1.579   0.837  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -4.278   0.937  -1.104  0.00  0.00    +0.330 A 
ATOM     14  O   LIG    1       -5.373   1.171  -1.591  0.00  0.00    -0.246 OA
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1        2.298  -1.235   0.757  0.00  0.00    +0.054 A 
ATOM     16  C   LIG    1        3.102  -2.201   1.396  0.00  0.00    +0.110 A 
ATOM     17  C   LIG    1        4.436  -1.893   1.639  0.00  0.00    +0.149 A 
ATOM     18 CL   LIG    1        5.530  -2.979   2.408  0.00  0.00    -0.061 Cl
ATOM     19  N   LIG    1        5.031  -0.724   1.310  0.00  0.00    -0.227 NA
ATOM     20  CA  LIG    1        4.234   0.189   0.699  0.00  0.00    +0.151 A 
ATOM     21  C   LIG    1        2.893  -0.016   0.409  0.00  0.00    +0.059 A 
BRANCH  16  22
ATOM     22  C   LIG    1        2.563  -3.466   1.786  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1        2.084  -4.485   2.065  0.00  0.00    -0.191 NA
ENDBRANCH  16  22
BRANCH  20  24
ATOM     24  C   LIG    1        4.892   1.477   0.340  0.00  0.00    +0.355 C 
ATOM     25  O   LIG    1        4.330   2.413  -0.198  0.00  0.00    -0.243 OA
BRANCH  24  26
ATOM     26  OXT LIG    1        6.197   1.466   0.699  0.00  0.00    -0.476 OA
ATOM     27  HXT LIG    1        6.423   0.604   1.121  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  20  24
ENDBRANCH   1  15
TORSDOF 5