REMARK  Name = BDB039372
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.720   0.165  -0.311  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.995   1.295  -0.659  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.409   2.373  -1.040  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.578   0.965  -0.469  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        2.501  -0.316   0.065  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        1.268  -0.881   0.348  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        0.086  -0.151   0.084  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        0.212   1.160  -0.449  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        1.460   1.728  -0.732  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        3.871  -0.866   0.271  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -1.239  -0.748   0.379  0.00  0.00    +0.072 A 
ATOM     12  N   LIG    1       -1.262  -1.586   1.441  0.00  0.00    -0.245 NA
ATOM     13  C   LIG    1       -2.463  -2.128   1.741  0.00  0.00    +0.089 A 
ATOM     14  C   LIG    1       -3.624  -1.879   1.016  0.00  0.00    +0.069 A 
ATOM     15  N   LIG    1       -4.629  -2.598   1.624  0.00  0.00    -0.359 N 
ATOM     16  H   LIG    1       -5.594  -2.610   1.324  0.00  0.00    +0.165 HD
ATOM     17  C   LIG    1       -4.134  -3.292   2.699  0.00  0.00    +0.085 A 
ATOM     18  C   LIG    1       -3.623  -1.031  -0.098  0.00  0.00    -0.006 A 
ATOM     19  C   LIG    1       -2.788  -3.017   2.793  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -2.369  -0.470  -0.397  0.00  0.00    +0.035 A 
BRANCH  18  21
ATOM     21  C   LIG    1       -4.830  -0.715  -0.949  0.00  0.00    +0.121 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -5.121   0.727  -1.009  0.00  0.00    -0.298 NA
ATOM     23  C   LIG    1       -5.641   1.255   0.263  0.00  0.00    +0.085 C 
ATOM     24  C   LIG    1       -7.137   0.973   0.254  0.00  0.00    +0.017 C 
ATOM     25  C   LIG    1       -7.501   0.817  -1.216  0.00  0.00    +0.017 C 
ATOM     26  C   LIG    1       -6.195   1.014  -1.972  0.00  0.00    +0.085 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   7  11
BRANCH   1  33
ATOM     27  O   LIG    1        9.988   1.630   0.370  0.00  0.00    -0.275 OA
ATOM     28  C   LIG    1        8.837   1.248   0.173  0.00  0.00    +0.219 C 
ATOM     29  N   LIG    1        7.880   1.356   1.150  0.00  0.00    -0.255 N 
ATOM     30  H   LIG    1        8.174   1.792   2.013  0.00  0.00    +0.158 HD
ATOM     31  C   LIG    1        6.602   0.845   1.143  0.00  0.00    +0.240 C 
ATOM     32  O   LIG    1        5.917   0.877   2.164  0.00  0.00    -0.273 OA
ATOM     33  C   LIG    1        6.169   0.134  -0.149  0.00  0.00    +0.163 C 
ATOM     34  C   LIG    1        6.933   0.692  -1.351  0.00  0.00    +0.041 C 
ATOM     35  C   LIG    1        8.427   0.556  -1.105  0.00  0.00    +0.098 C 
ENDBRANCH   1  33
TORSDOF 4