REMARK  Name = BDB048453
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.542  -1.577  -0.526  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -0.134  -0.419  -1.200  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1        1.206  -0.017  -1.184  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        2.181  -0.768  -0.510  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1        1.770  -1.940   0.142  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.430  -2.343   0.131  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.588  -0.337  -0.486  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1        3.941   0.954  -0.057  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        5.281   1.366  -0.033  0.00  0.00    +0.059 A 
ATOM     10  C   LIG    1        6.286   0.482  -0.439  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        5.955  -0.801  -0.867  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.617  -1.206  -0.889  0.00  0.00    +0.008 A 
BRANCH   9  13
ATOM     13  C   LIG    1        5.679   2.722   0.417  0.00  0.00    +0.337 C 
ATOM     14  O   LIG    1        6.819   3.145   0.481  0.00  0.00    -0.245 OA
BRANCH  13  15
ATOM     15  O   LIG    1        4.630   3.487   0.764  0.00  0.00    -0.477 OA
ATOM     16  H   LIG    1        5.037   4.337   1.035  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   9  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  C   LIG    1       -1.980  -2.041  -0.539  0.00  0.00    +0.158 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -3.220  -0.479   1.030  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1       -2.928  -0.981  -0.224  0.00  0.00    -0.323 N 
ATOM     20  C   LIG    1       -3.745  -0.348  -1.139  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -4.509   0.521  -0.369  0.00  0.00    +0.089 A 
ATOM     22  C   LIG    1       -5.464   1.340  -0.989  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1       -5.623   1.261  -2.377  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -4.846   0.382  -3.133  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -3.889  -0.443  -2.531  0.00  0.00    +0.028 A 
ATOM     26  N   LIG    1       -4.181   0.422   0.956  0.00  0.00    -0.232 NA
BRANCH  18  27
ATOM     27  C   LIG    1       -2.558  -0.905   2.303  0.00  0.00    +0.074 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -0.770   0.910   2.400  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1       -1.972   0.274   3.084  0.00  0.00    +0.004 C 
ENDBRANCH  27  29
ENDBRANCH  18  27
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 7