REMARK  Name = BDB047571
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.689  -1.124   0.746  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -3.268  -0.653   0.893  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -2.435  -1.227  -0.072  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.081  -0.924  -0.128  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -0.554  -0.040   0.817  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.396   0.524   1.792  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -3.209  -2.100  -1.007  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -2.759   0.223   1.836  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -4.511  -2.318  -0.224  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -5.690  -0.034   0.314  0.00  0.00    +0.105 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -4.527   1.507  -1.384  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -5.624   0.482  -1.137  0.00  0.00    +0.012 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -7.080  -0.580   0.568  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -7.759  -1.244  -0.198  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -7.537  -0.280   1.799  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -8.427  -0.691   1.831  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  O   LIG    1        0.752   0.360   0.903  0.00  0.00    -0.486 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.658  -0.159  -0.076  0.00  0.00    +0.288 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.035   0.381   0.112  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        3.443   1.612   0.581  0.00  0.00    +0.129 A 
ATOM     21  C   LIG    1        2.750   2.815   1.075  0.00  0.00    +0.088 C 
ATOM     22  O   LIG    1        4.808   1.642   0.558  0.00  0.00    -0.440 OA
ATOM     23  C   LIG    1        5.169   0.415   0.063  0.00  0.00    +0.228 A 
ATOM     24  N   LIG    1        4.146  -0.368  -0.225  0.00  0.00    -0.210 NA
BRANCH  23  25
ATOM     25  C   LIG    1        6.599   0.154  -0.077  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        7.567   1.108   0.273  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        8.930   0.830   0.128  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        9.342  -0.404  -0.370  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        8.394  -1.362  -0.723  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        7.032  -1.084  -0.577  0.00  0.00    +0.013 A 
ENDBRANCH  23  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 8