REMARK  Name = BDB005215
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.298  -1.265  -1.776  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1        2.279   0.247  -1.582  0.00  0.00    +0.104 C 
ATOM      3  N   LIG    1        1.780   0.674  -0.279  0.00  0.00    -0.288 N 
ATOM      4  C   LIG    1        2.777   1.242   0.506  0.00  0.00    +0.248 C 
ATOM      5  O   LIG    1        2.663   1.612   1.660  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1        3.998   1.348  -0.313  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        5.250   1.898  -0.057  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        6.179   1.874  -1.119  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        5.865   1.322  -2.371  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        4.608   0.772  -2.600  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        3.685   0.788  -1.564  0.00  0.00    -0.014 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1        0.409   0.493   0.221  0.00  0.00    +0.079 C 
ATOM     13  C   LIG    1       -0.704   0.773  -0.800  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -1.495  -0.478  -1.174  0.00  0.00    +0.086 C 
ATOM     15  N   LIG    1       -2.016  -1.232  -0.032  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1       -1.251  -1.103   1.210  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1        0.230  -0.843   0.949  0.00  0.00    +0.038 C 
BRANCH  15  18
ATOM     18  C   LIG    1       -3.482  -1.182   0.113  0.00  0.00    +0.057 C 
ATOM     19  C   LIG    1       -4.043   0.234   0.386  0.00  0.00    +0.019 C 
ATOM     20  C   LIG    1       -5.442   0.229   1.010  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1       -6.237  -1.012   0.633  0.00  0.00    +0.000 C 
ATOM     22  C   LIG    1       -5.545  -2.292   1.102  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -4.016  -2.184   1.150  0.00  0.00    +0.019 C 
ENDBRANCH  15  18
ENDBRANCH   3  12
BRANCH   7  24
ATOM     24  C   LIG    1        5.729   2.520   1.210  0.00  0.00    +0.242 C 
ATOM     25  O   LIG    1        6.778   3.159   1.235  0.00  0.00    -0.270 OA
ATOM     26  N   LIG    1        5.019   2.366   2.359  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1        5.327   2.893   3.164  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1        4.056   2.034   2.376  0.00  0.00    +0.145 HD
ENDBRANCH   7  24
TORSDOF 3