REMARK  Name = BDB047540
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.072  -1.128  -0.989  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -3.800  -0.493  -0.493  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -3.102  -1.373   0.343  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.872  -1.035   0.894  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -1.330   0.217   0.600  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.023   1.090  -0.255  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.814  -2.683   0.470  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -3.253   0.736  -0.818  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -5.225  -2.312  -0.001  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -6.351  -0.272  -1.106  0.00  0.00    +0.105 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -6.694   0.435   1.360  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -6.576   0.869  -0.090  0.00  0.00    +0.012 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -6.411   0.308  -2.514  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -6.024   1.423  -2.829  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.932  -0.548  -3.424  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -7.210  -1.410  -3.063  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  O   LIG    1       -0.135   0.708   1.049  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        0.656  -0.086   1.938  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.530  -1.087   1.183  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.660  -0.433   0.469  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        2.683   0.189  -0.761  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        1.686   0.463  -1.809  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        3.956   0.636  -0.980  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        4.649   0.257   0.141  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1        3.916  -0.386   1.032  0.00  0.00    -0.214 NA
BRANCH  24  26
ATOM     26  C   LIG    1        6.066   0.607   0.190  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        6.832   0.242   1.307  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        8.191   0.563   1.383  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        8.816   1.250   0.338  0.00  0.00    -0.050 A 
ATOM     30  C   LIG    1       10.265   1.625   0.433  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1        8.055   1.631  -0.773  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        6.696   1.309  -0.848  0.00  0.00    +0.013 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 9