REMARK  Name = BDB048774
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.841  -1.691  -0.590  0.00  0.00    +0.100 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -0.708   1.269   1.024  0.00  0.00    +0.088 C 
ATOM      3  C   LIG    1        0.324   0.358   0.498  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        0.311  -0.850  -0.166  0.00  0.00    +0.086 A 
ATOM      5  N   LIG    1        1.605  -1.245  -0.426  0.00  0.00    -0.214 NA
ATOM      6  C   LIG    1        2.349  -0.276   0.077  0.00  0.00    +0.228 A 
ATOM      7  O   LIG    1        1.627   0.735   0.657  0.00  0.00    -0.440 OA
BRANCH   6   8
ATOM      8  C   LIG    1        3.803  -0.144   0.096  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        4.444   0.960   0.669  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        5.843   1.062   0.674  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        6.650   0.064   0.106  0.00  0.00    -0.042 A 
ATOM     12  C   LIG    1        5.995  -1.042  -0.467  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        4.598  -1.144  -0.472  0.00  0.00    +0.013 A 
BRANCH  11  14
ATOM     14  C   LIG    1        8.187   0.143   0.094  0.00  0.00    -0.013 C 
ATOM     15  C   LIG    1        8.752   1.417   0.762  0.00  0.00    +0.015 C 
ATOM     16  C   LIG    1        8.775  -1.067   0.850  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1        8.696   0.129  -1.364  0.00  0.00    +0.015 C 
ENDBRANCH  11  14
ENDBRANCH   6   8
ENDBRANCH   1   4
BRANCH   1  18
ATOM     18  C   LIG    1       -1.445  -1.232  -1.917  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -2.168  -0.005  -1.781  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -3.460  -0.038  -1.333  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1       -4.187  -1.177  -0.989  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1       -5.490  -1.020  -0.532  0.00  0.00    -0.040 A 
ATOM     23  C   LIG    1       -6.449  -2.103  -0.145  0.00  0.00    +0.036 C 
ATOM     24  C   LIG    1       -7.477  -1.302   0.661  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1       -7.513   0.116   0.044  0.00  0.00    +0.030 C 
ATOM     26  C   LIG    1       -6.085   0.243  -0.421  0.00  0.00    -0.040 A 
ATOM     27  C   LIG    1       -5.377   1.377  -0.776  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -4.061   1.228  -1.225  0.00  0.00    +0.046 A 
BRANCH  25  29
ATOM     29  C   LIG    1       -7.989   1.147   1.063  0.00  0.00    +0.128 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -8.467   2.416   0.404  0.00  0.00    +0.305 C 
ATOM     31  O   LIG    1       -7.849   3.469   0.416  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -9.668   2.291  -0.203  0.00  0.00    -0.481 OA
ATOM     33  H   LIG    1      -10.072   1.406  -0.124  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  25  29
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9