REMARK  Name = BDB063212
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.258   1.214   0.564  0.00  0.00    +0.117 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.685  -0.194   0.154  0.00  0.00    -0.026 A 
ATOM      3  C   LIG    1       -1.417  -0.709  -1.125  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1       -1.801  -2.009  -1.466  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -2.462  -2.820  -0.539  0.00  0.00    -0.050 A 
ATOM      6  C   LIG    1       -2.839  -4.228  -0.892  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -2.705  -2.323   0.745  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -2.322  -1.024   1.087  0.00  0.00    +0.006 A 
ENDBRANCH   1   2
BRANCH   1  10
ATOM      9  C   LIG    1        0.884   0.799   1.730  0.00  0.00    +0.247 C 
ATOM     10  N   LIG    1        0.203   1.246   0.601  0.00  0.00    -0.305 N 
ATOM     11  H   LIG    1        0.685   1.110  -0.279  0.00  0.00    +0.149 HD
ATOM     12  O   LIG    1        0.314   0.553   2.791  0.00  0.00    -0.273 OA
BRANCH   9  13
ATOM     13  C   LIG    1        2.433   0.692   1.545  0.00  0.00    +0.233 C 
BRANCH  13  14
ATOM     14  C   LIG    1        2.787  -0.084   0.281  0.00  0.00    -0.010 A 
ATOM     15  C   LIG    1        2.331  -1.400   0.099  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        2.621  -2.095  -1.075  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        3.380  -1.489  -2.074  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        3.853  -0.190  -1.900  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        3.561   0.510  -0.728  0.00  0.00    +0.006 A 
ENDBRANCH  13  14
BRANCH  13  21
ATOM     20  C   LIG    1        3.307   0.915   3.737  0.00  0.00    +0.195 C 
ATOM     21  O   LIG    1        3.140   0.065   2.611  0.00  0.00    -0.366 OA
ENDBRANCH  13  21
ENDBRANCH   9  13
ENDBRANCH   1  10
BRANCH   1  22
ATOM     22  C   LIG    1       -1.824   2.304  -0.377  0.00  0.00    +0.119 C 
ATOM     23  C   LIG    1       -3.351   2.271  -0.479  0.00  0.00    +0.021 C 
BRANCH  22  24
ATOM     24  C   LIG    1       -1.437   3.682   0.128  0.00  0.00    +0.310 C 
ATOM     25  O   LIG    1       -1.290   3.991   1.299  0.00  0.00    -0.251 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -1.302   4.591  -0.868  0.00  0.00    -0.480 OA
ATOM     27  H   LIG    1       -1.496   4.252  -1.762  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 8