REMARK  Name = BDB012305
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.715  -0.293   0.123  0.00  0.00    +0.158 A 
ATOM      2  N   LIG    1        1.021  -1.573   0.467  0.00  0.00    -0.236 NA
ATOM      3  C   LIG    1        2.320  -1.894   0.638  0.00  0.00    +0.114 A 
ATOM      4  C   LIG    1        3.357  -0.997   0.484  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1        3.036   0.312   0.132  0.00  0.00    +0.064 A 
ATOM      6  C   LIG    1        1.700   0.676  -0.052  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -1.797  -0.721   0.057  0.00  0.00    +0.219 A 
ATOM      8  N   LIG    1       -0.659   0.080  -0.066  0.00  0.00    -0.182 N 
ATOM      9  N   LIG    1       -0.989   1.363  -0.411  0.00  0.00    -0.167 NA
ATOM     10  C   LIG    1       -2.320   1.367  -0.505  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1       -3.035   2.614  -0.869  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -2.869   0.103  -0.225  0.00  0.00    +0.092 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -2.943  -2.723   0.480  0.00  0.00    +0.279 C 
ATOM     14  O   LIG    1       -1.715  -2.015   0.388  0.00  0.00    -0.480 OA
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   5  15
ATOM     15  C   LIG    1        4.079   1.347  -0.055  0.00  0.00    +0.337 C 
ATOM     16  O   LIG    1        3.888   2.509  -0.361  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1        5.321   0.875   0.150  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1        5.894   1.655  -0.007  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH   5  15
TORSDOF 4