REMARK  Name = BDB063213
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.374   1.347   0.768  0.00  0.00    +0.117 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.761   0.716   0.761  0.00  0.00    -0.026 A 
ATOM      3  C   LIG    1       -2.458   0.462  -0.431  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1       -3.715  -0.148  -0.407  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -4.292  -0.538   0.806  0.00  0.00    -0.050 A 
ATOM      6  C   LIG    1       -5.656  -1.160   0.835  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1       -3.602  -0.288   1.997  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -2.346   0.323   1.974  0.00  0.00    +0.006 A 
ENDBRANCH   1   2
BRANCH   1  10
ATOM      9  C   LIG    1        1.234  -0.503   1.188  0.00  0.00    +0.247 C 
ATOM     10  N   LIG    1        0.555   0.315   0.287  0.00  0.00    -0.305 N 
ATOM     11  H   LIG    1        0.319  -0.118  -0.600  0.00  0.00    +0.149 HD
ATOM     12  O   LIG    1        1.258  -0.263   2.393  0.00  0.00    -0.273 OA
BRANCH   9  13
ATOM     13  C   LIG    1        1.925  -1.751   0.547  0.00  0.00    +0.233 C 
BRANCH  13  14
ATOM     14  C   LIG    1        2.617  -1.381  -0.759  0.00  0.00    -0.010 A 
ATOM     15  C   LIG    1        2.128  -1.854  -1.988  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        2.732  -1.465  -3.184  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        3.829  -0.606  -3.168  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        4.333  -0.141  -1.954  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        3.734  -0.530  -0.756  0.00  0.00    +0.006 A 
ENDBRANCH  13  14
BRANCH  13  21
ATOM     20  C   LIG    1        2.330  -3.240   2.349  0.00  0.00    +0.195 C 
ATOM     21  O   LIG    1        2.900  -2.390   1.364  0.00  0.00    -0.366 OA
ENDBRANCH  13  21
ENDBRANCH   9  13
ENDBRANCH   1  10
BRANCH   1  22
ATOM     22  C   LIG    1       -0.241   2.637  -0.074  0.00  0.00    +0.119 C 
ATOM     23  C   LIG    1       -1.371   3.642   0.196  0.00  0.00    +0.021 C 
BRANCH  22  24
ATOM     24  C   LIG    1        1.088   3.319   0.227  0.00  0.00    +0.310 C 
ATOM     25  O   LIG    1        1.204   4.441   0.697  0.00  0.00    -0.251 OA
BRANCH  24  26
ATOM     26  O   LIG    1        2.171   2.594  -0.132  0.00  0.00    -0.480 OA
ATOM     27  H   LIG    1        1.957   1.681  -0.409  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 8