REMARK  Name = BDB002747
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.012  -0.996   0.829  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -0.381  -1.459   0.500  0.00  0.00    -0.289 NA
ATOM      3  C   LIG    1       -0.400  -2.835  -0.063  0.00  0.00    +0.104 C 
ATOM      4  C   LIG    1        0.951  -3.575  -0.023  0.00  0.00    +0.119 C 
ATOM      5  N   LIG    1        1.981  -2.741  -0.601  0.00  0.00    -0.313 N 
ATOM      6  H   LIG    1        2.594  -3.064  -1.339  0.00  0.00    +0.149 HD
ATOM      7  C   LIG    1        2.003  -1.398  -0.295  0.00  0.00    +0.231 C 
ATOM      8  O   LIG    1        2.755  -0.626  -0.881  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1        1.157   0.497   1.155  0.00  0.00    +0.124 C 
BRANCH   9  12
ATOM     10  N   LIG    1        2.864   2.112   1.733  0.00  0.00    -0.308 N 
ATOM     11  H   LIG    1        2.367   2.716   1.091  0.00  0.00    +0.149 HD
ATOM     12  C   LIG    1        2.499   0.784   1.801  0.00  0.00    +0.215 C 
ATOM     13  O   LIG    1        3.170  -0.070   2.371  0.00  0.00    -0.276 OA
BRANCH  10  14
ATOM     14  C   LIG    1        4.183   2.545   2.144  0.00  0.00    +0.181 C 
BRANCH  14  19
ATOM     15  C   LIG    1        7.021   1.832  -2.037  0.00  0.00    +0.069 C 
ATOM     16  C   LIG    1        6.316   2.336  -0.838  0.00  0.00    +0.081 A 
ATOM     17  N   LIG    1        6.449   3.614  -0.462  0.00  0.00    -0.083 NA
ATOM     18  O   LIG    1        5.667   3.756   0.670  0.00  0.00    -0.358 OA
ATOM     19  C   LIG    1        5.070   2.568   0.961  0.00  0.00    +0.154 A 
ATOM     20  C   LIG    1        5.456   1.632   0.031  0.00  0.00    +0.072 A 
ENDBRANCH  14  19
ENDBRANCH  10  14
ENDBRANCH   9  12
ENDBRANCH   1   9
BRANCH   2  21
ATOM     21  C   LIG    1       -1.172  -0.513  -0.318  0.00  0.00    +0.098 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.674  -0.885  -0.567  0.00  0.00    +0.063 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.281   0.156  -1.514  0.00  0.00    -0.039 A 
ATOM     24  C   LIG    1       -3.414  -0.136  -2.881  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -3.940   0.810  -3.763  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.337   2.059  -3.292  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.208   2.365  -1.939  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.680   1.422  -1.055  0.00  0.00    +0.004 A 
ENDBRANCH  22  23
BRANCH  22  29
ATOM     29  C   LIG    1       -3.548  -1.123   0.667  0.00  0.00    -0.039 A 
ATOM     30  C   LIG    1       -3.193  -0.698   1.956  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -4.035  -0.935   3.046  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.246  -1.597   2.866  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -5.620  -2.021   1.594  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.779  -1.785   0.504  0.00  0.00    +0.004 A 
ENDBRANCH  22  29
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 8