REMARK  Name = BDB055357
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.374  -0.366   0.223  0.00  0.00    -0.000 A 
ATOM      2  C   LIG    1       -0.330   0.786  -0.143  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1       -1.703   0.730  -0.417  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -2.416  -0.473  -0.317  0.00  0.00    -0.016 A 
ATOM      5  C   LIG    1       -1.691  -1.629   0.035  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.320  -1.576   0.308  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1        5.035   1.128  -2.161  0.00  0.00    +0.064 C 
ATOM      8  C   LIG    1        5.150   0.589  -0.780  0.00  0.00    +0.021 A 
ATOM      9  N   LIG    1        4.060   0.169  -0.041  0.00  0.00    -0.314 N 
ATOM     10  C   LIG    1        4.503  -0.275   1.189  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1        3.564  -0.775   2.166  0.00  0.00    +0.273 A 
ATOM     12  N   LIG    1        2.243  -0.763   1.751  0.00  0.00    -0.319 N 
ATOM     13  H   LIG    1        1.570  -1.092   2.431  0.00  0.00    +0.169 HD
ATOM     14  C   LIG    1        1.812  -0.312   0.520  0.00  0.00    +0.066 A 
ATOM     15  O   LIG    1        3.868  -1.185   3.282  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        5.874  -0.137   1.236  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1        2.708   0.148  -0.371  0.00  0.00    +0.118 A 
ATOM     18  C   LIG    1        6.281   0.406  -0.004  0.00  0.00    +0.023 A 
ENDBRANCH   1  14
BRANCH   4  19
ATOM     19  C   LIG    1       -3.909  -0.581  -0.642  0.00  0.00    +0.090 C 
ATOM     20  C   LIG    1       -4.040  -1.139  -2.072  0.00  0.00    +0.046 C 
BRANCH  19  21
ATOM     21  O   LIG    1       -4.519  -1.548   0.229  0.00  0.00    -0.384 OA
ATOM     22  H   LIG    1       -4.088  -1.451   1.097  0.00  0.00    +0.211 HD
ENDBRANCH  19  21
BRANCH  19  23
ATOM     23  C   LIG    1       -4.766   0.709  -0.546  0.00  0.00    +0.067 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.026   1.237   0.864  0.00  0.00    +0.159 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -3.859   1.816   1.422  0.00  0.00    -0.395 OA
ATOM     26  H   LIG    1       -4.095   2.145   2.307  0.00  0.00    +0.209 HD
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH   4  19
TORSDOF 6