REMARK  Name = BDB056066
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.185  -2.424  -0.639  0.00  0.00    +0.149 A 
ATOM      2  C   LIG    1        3.503  -1.962  -0.367  0.00  0.00    +0.081 A 
ATOM      3  C   LIG    1        4.284  -3.083  -0.494  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1        3.436  -4.102  -0.834  0.00  0.00    -0.282 N 
ATOM      5  H   LIG    1        3.671  -5.074  -1.007  0.00  0.00    +0.188 HD
ATOM      6  N   LIG    1        2.148  -3.732  -0.931  0.00  0.00    -0.169 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -3.273   0.268  -0.733  0.00  0.00    -0.031 A 
ATOM      8  C   LIG    1       -2.643  -0.975  -0.939  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1       -1.256  -1.030  -0.772  0.00  0.00    +0.067 A 
ATOM     10  C   LIG    1       -0.483   0.072  -0.426  0.00  0.00    +0.090 A 
ATOM     11  N   LIG    1        0.846  -0.264  -0.329  0.00  0.00    -0.226 NA
ATOM     12  C   LIG    1        0.893  -1.551  -0.613  0.00  0.00    +0.161 A 
ATOM     13  C   LIG    1       -1.109   1.310  -0.233  0.00  0.00    +0.030 A 
ATOM     14  N   LIG    1       -0.351  -2.051  -0.886  0.00  0.00    -0.337 N 
ATOM     15  H   LIG    1       -0.535  -3.014  -1.126  0.00  0.00    +0.167 HD
ATOM     16  C   LIG    1       -2.500   1.393  -0.394  0.00  0.00    +0.007 A 
BRANCH   7  17
ATOM     17  C   LIG    1       -4.779   0.396  -0.902  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -5.614   0.174   0.294  0.00  0.00    -0.299 NA
BRANCH  18  20
ATOM     19  C   LIG    1       -6.130  -2.240  -0.112  0.00  0.00    +0.020 C 
ATOM     20  C   LIG    1       -5.552  -1.192   0.834  0.00  0.00    +0.081 C 
ENDBRANCH  18  20
BRANCH  18  21
ATOM     21  C   LIG    1       -5.420   1.165   1.363  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1       -5.862   2.571   0.968  0.00  0.00    +0.020 C 
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   7  17
ENDBRANCH   1  12
BRANCH   2  23
ATOM     23  N   LIG    1        3.819  -0.689  -0.042  0.00  0.00    -0.296 N 
ATOM     24  H   LIG    1        3.033  -0.035   0.067  0.00  0.00    +0.154 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.987   0.028   0.217  0.00  0.00    +0.129 A 
ATOM     26  N   LIG    1        4.792   1.306   0.588  0.00  0.00    -0.207 NA
ATOM     27  C   LIG    1        5.862   2.070   0.860  0.00  0.00    +0.191 A 
ATOM     28  N   LIG    1        7.125   1.653   0.788  0.00  0.00    -0.210 NA
ATOM     29  C   LIG    1        7.274   0.380   0.409  0.00  0.00    +0.135 A 
ATOM     30 CL   LIG    1        8.909  -0.136   0.312  0.00  0.00    -0.062 Cl
ATOM     31  C   LIG    1        6.253  -0.485   0.109  0.00  0.00    +0.084 A 
BRANCH  27  32
ATOM     32  S   LIG    1        5.525   3.744   1.348  0.00  0.00    -0.089 S 
ATOM     33  C   LIG    1        7.210   4.365   1.574  0.00  0.00    +0.093 C 
ENDBRANCH  27  32
ENDBRANCH  23  25
ENDBRANCH   2  23
TORSDOF 8