REMARK  Name = BDB008951
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.013  -2.732  -0.262  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.026  -2.381   0.612  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.368  -2.490   0.215  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -2.652  -2.993  -1.062  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.622  -3.365  -1.928  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.291  -3.237  -1.532  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.370  -2.346  -0.759  0.00  0.00    -0.311 N 
ATOM      8  H   LIG    1        2.073  -2.146  -1.703  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        1.415  -2.566   0.213  0.00  0.00    +0.244 C 
ATOM     10  O   LIG    1        1.662  -2.589   1.413  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1        3.744  -2.042  -0.408  0.00  0.00    +0.108 C 
BRANCH  11  16
ATOM     12  C   LIG    1        5.394   3.418   0.148  0.00  0.00    +0.104 C 
ATOM     13  N   LIG    1        4.869   2.057   0.185  0.00  0.00    -0.305 NA
ATOM     14  C   LIG    1        3.894   1.836  -0.892  0.00  0.00    +0.084 C 
ATOM     15  C   LIG    1        3.708   0.358  -1.268  0.00  0.00    +0.020 C 
ATOM     16  C   LIG    1        3.953  -0.561  -0.066  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1        5.374  -0.331   0.487  0.00  0.00    +0.020 C 
ATOM     18  C   LIG    1        5.936   1.061   0.169  0.00  0.00    +0.084 C 
ENDBRANCH  11  16
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  C   LIG    1       -3.480  -2.112   1.167  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.435  -1.066   0.597  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -4.115   0.389   0.746  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -2.854   0.838   1.429  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -2.546   2.325   1.226  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -3.802   3.174   1.370  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.867   2.751   0.357  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -5.011   1.258   0.247  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -6.227   0.761  -0.444  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -7.053   1.526  -0.931  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -6.367  -0.598  -0.505  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -7.194  -0.958  -0.968  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -5.502  -1.515   0.004  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 5