REMARK  Name = BDB056867
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.842   5.665   1.299  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -0.712   4.685   1.116  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -1.034   3.414   0.658  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        0.107   2.514   0.397  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -0.357   1.102   0.313  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        0.371  -0.110   0.198  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -0.460  -1.162   0.125  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -1.699  -0.637   0.210  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -1.681   0.722   0.294  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -2.825   1.660   0.374  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -2.326   3.078   0.018  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1        0.444   5.020   1.381  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.820  -0.286   0.149  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        2.481  -0.784  -1.006  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        3.894  -0.919  -1.006  0.00  0.00    -0.009 A 
ATOM     16  C   LIG    1        4.503  -1.381  -2.194  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1        3.728  -1.696  -3.300  0.00  0.00    +0.111 A 
ATOM     18  N   LIG    1        2.392  -1.591  -3.325  0.00  0.00    -0.263 NA
ATOM     19  C   LIG    1        4.625  -0.582   0.171  0.00  0.00    -0.014 A 
ATOM     20  C   LIG    1        3.941  -0.065   1.287  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1        1.808  -1.145  -2.188  0.00  0.00    +0.119 A 
ATOM     22  C   LIG    1        2.559   0.074   1.280  0.00  0.00    +0.011 A 
BRANCH  19  23
ATOM     23  C   LIG    1        6.134  -0.694   0.261  0.00  0.00    +0.191 C 
BRANCH  23  24
ATOM     24  O   LIG    1        6.552  -1.114   1.558  0.00  0.00    -0.390 OA
ATOM     25  H   LIG    1        5.965  -1.845   1.819  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
ENDBRANCH  19  23
ENDBRANCH   6  13
BRANCH   8  26
ATOM     26  C   LIG    1       -2.858  -1.518   0.174  0.00  0.00    +0.112 C 
ATOM     27  C   LIG    1       -3.112  -2.050  -1.244  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1       -3.843  -3.386  -1.214  0.00  0.00    +0.162 C 
ATOM     29  O   LIG    1       -4.725  -3.422  -0.096  0.00  0.00    -0.380 OA
ATOM     30  C   LIG    1       -4.024  -3.514   1.147  0.00  0.00    +0.162 C 
ATOM     31  C   LIG    1       -2.756  -2.666   1.180  0.00  0.00    +0.055 C 
ENDBRANCH   8  26
TORSDOF 4