REMARK  Name = BDB012270
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.315  -0.600  -0.090  0.00  0.00    +0.158 A 
ATOM      2  N   LIG    1       -0.717  -1.906  -0.155  0.00  0.00    -0.236 NA
ATOM      3  C   LIG    1       -2.041  -2.151  -0.036  0.00  0.00    +0.114 A 
ATOM      4  C   LIG    1       -2.991  -1.165   0.144  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1       -2.559   0.160   0.208  0.00  0.00    +0.064 A 
ATOM      6  C   LIG    1       -1.201   0.456   0.090  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        3.795   1.970  -0.309  0.00  0.00    +0.067 C 
ATOM      8  C   LIG    1        2.904   0.784  -0.313  0.00  0.00    +0.064 A 
ATOM      9  N   LIG    1        1.583   0.937  -0.162  0.00  0.00    -0.167 NA
ATOM     10  N   LIG    1        1.083  -0.329  -0.214  0.00  0.00    -0.182 N 
ATOM     11  C   LIG    1        2.089  -1.274  -0.397  0.00  0.00    +0.217 A 
ATOM     12  C   LIG    1        3.267  -0.570  -0.462  0.00  0.00    +0.091 A 
BRANCH  11  13
ATOM     13  O   LIG    1        1.879  -2.590  -0.482  0.00  0.00    -0.492 OA
ATOM     14  H   LIG    1        0.911  -2.742  -0.394  0.00  0.00    +0.294 HD
ENDBRANCH  11  13
ENDBRANCH   1  10
BRANCH   5  15
ATOM     15  C   LIG    1       -3.508   1.281   0.399  0.00  0.00    +0.337 C 
ATOM     16  O   LIG    1       -3.217   2.460   0.465  0.00  0.00    -0.245 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -4.784   0.869   0.499  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1       -5.290   1.700   0.620  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH   5  15
TORSDOF 4