REMARK  Name = BDB048758
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.186  -1.714  -0.637  0.00  0.00    +0.100 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -0.389   1.146   1.139  0.00  0.00    +0.088 C 
ATOM      3  C   LIG    1        0.742   0.341   0.649  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        0.867  -0.823  -0.079  0.00  0.00    +0.086 A 
ATOM      5  N   LIG    1        2.202  -1.113  -0.257  0.00  0.00    -0.214 NA
ATOM      6  C   LIG    1        2.834  -0.128   0.355  0.00  0.00    +0.228 A 
ATOM      7  O   LIG    1        1.999   0.796   0.930  0.00  0.00    -0.440 OA
BRANCH   6   8
ATOM      8  C   LIG    1        4.270   0.101   0.497  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        5.175  -0.809  -0.065  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        6.556  -0.617   0.054  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        7.068   0.493   0.739  0.00  0.00    -0.045 A 
ATOM     12  C   LIG    1        6.163   1.405   1.301  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        4.782   1.211   1.181  0.00  0.00    +0.013 A 
BRANCH  11  14
ATOM     14  C   LIG    1        8.561   0.725   0.882  0.00  0.00    +0.013 C 
ATOM     15  C   LIG    1        9.233  -0.405   1.666  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1        9.233   0.919  -0.479  0.00  0.00    +0.012 C 
ENDBRANCH  11  14
ENDBRANCH   6   8
ENDBRANCH   1   4
BRANCH   1  17
ATOM     17  C   LIG    1       -0.705  -1.228  -1.991  0.00  0.00    +0.235 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -1.504  -0.048  -1.866  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -2.828  -0.170  -1.546  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1       -3.512  -1.360  -1.295  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1       -4.859  -1.294  -0.962  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1       -5.785  -2.439  -0.693  0.00  0.00    +0.036 C 
ATOM     23  C   LIG    1       -6.936  -1.722   0.024  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1       -6.994  -0.291  -0.561  0.00  0.00    +0.030 C 
ATOM     25  C   LIG    1       -5.537  -0.071  -0.887  0.00  0.00    -0.040 A 
ATOM     26  C   LIG    1       -4.873   1.114  -1.151  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -3.514   1.056  -1.473  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -7.585   0.727   0.412  0.00  0.00    +0.128 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -9.050   0.489   0.650  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1       -9.788  -0.271   0.046  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -9.529   1.258   1.648  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1      -10.480   1.026   1.696  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  24  28
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9