REMARK  Name = BDB050230
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.101   0.608  -0.107  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.276  -0.694  -0.439  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        1.477  -1.232   0.031  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        2.323  -0.468   0.842  0.00  0.00    -0.047 A 
ATOM      5  C   LIG    1        1.942   0.838   1.174  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.738   1.374   0.701  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -1.296   1.006  -0.636  0.00  0.00    -0.492 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -1.786   2.292  -0.256  0.00  0.00    +0.235 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -3.150   2.530  -0.904  0.00  0.00    +0.100 C 
BRANCH   9  12
ATOM     10  C   LIG    1       -4.580   2.535   2.162  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1       -4.800   1.739   0.943  0.00  0.00    +0.125 A 
ATOM     12  C   LIG    1       -4.239   1.701  -0.316  0.00  0.00    +0.086 A 
ATOM     13  N   LIG    1       -4.876   0.738  -1.068  0.00  0.00    -0.218 NA
ATOM     14  C   LIG    1       -5.763   0.213  -0.246  0.00  0.00    +0.201 A 
ATOM     15  O   LIG    1       -5.774   0.783   1.000  0.00  0.00    -0.444 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -6.744  -0.900  -0.492  0.00  0.00    +0.039 C 
ATOM     17  C   LIG    1       -8.179  -0.382  -0.296  0.00  0.00    +0.020 C 
ATOM     18  C   LIG    1       -6.475  -2.056   0.485  0.00  0.00    +0.020 C 
ATOM     19  C   LIG    1       -6.600  -1.425  -1.932  0.00  0.00    +0.020 C 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  C   LIG    1        3.624  -1.041   1.347  0.00  0.00    +0.043 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.679  -1.240   0.250  0.00  0.00    +0.045 C 
ATOM     22  C   LIG    1        5.908  -1.950   0.813  0.00  0.00    +0.170 C 
ATOM     23  O   LIG    1        6.913  -2.080  -0.185  0.00  0.00    -0.340 OA
ATOM     24  C   LIG    1        7.297  -0.825  -0.749  0.00  0.00    +0.267 C 
ATOM     25  C   LIG    1        8.228  -1.177  -1.913  0.00  0.00    +0.087 C 
ATOM     26  O   LIG    1        6.169  -0.172  -1.331  0.00  0.00    -0.340 OA
ATOM     27  C   LIG    1        5.134   0.072  -0.383  0.00  0.00    +0.170 C 
BRANCH  24  28
ATOM     28  C   LIG    1        8.133   0.089   0.216  0.00  0.00    +0.365 C 
ATOM     29  O   LIG    1        8.545  -0.197   1.331  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1        8.377   1.324  -0.282  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1        8.900   1.767   0.418  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 9