REMARK  Name = BDB056870
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.504   5.183   0.773  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -0.403   4.163   0.913  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.723   2.837   0.649  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        0.361   1.859   0.877  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1        0.028   0.554   0.245  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        0.808  -0.621   0.074  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1        0.104  -1.569  -0.569  0.00  0.00    -0.171 NA
ATOM      8  N   LIG    1       -1.101  -1.010  -0.806  0.00  0.00    -0.267 N 
ATOM      9  C   LIG    1       -1.191   0.260  -0.327  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -2.330   1.201  -0.407  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -2.112   2.325   0.629  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1        0.729   4.521   1.242  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        2.176  -0.850   0.514  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        3.168  -1.199  -0.433  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        4.480  -1.380   0.015  0.00  0.00    +0.047 A 
ATOM     16  N   LIG    1        5.247  -1.704  -1.082  0.00  0.00    -0.361 N 
ATOM     17  H   LIG    1        6.239  -1.893  -1.050  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1        4.475  -1.730  -2.211  0.00  0.00    +0.083 A 
ATOM     19  C   LIG    1        4.850  -1.236   1.359  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1        3.853  -0.897   2.276  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        3.186  -1.423  -1.843  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        2.535  -0.705   1.865  0.00  0.00    +0.011 A 
ENDBRANCH   6  13
BRANCH   8  23
ATOM     23  C   LIG    1       -2.108  -1.774  -1.530  0.00  0.00    +0.147 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.846  -2.723  -0.631  0.00  0.00    +0.010 C 
ATOM     25  C   LIG    1       -4.132  -3.358  -1.098  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -4.157  -2.342   0.010  0.00  0.00    +0.005 C 
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 3