REMARK  Name = BDB047557
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.430  -0.651  -0.023  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -4.008  -0.677  -0.518  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -3.436  -1.944  -0.361  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -2.118  -2.194  -0.723  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -1.370  -1.152  -1.272  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -1.960   0.108  -1.467  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -4.402  -2.905   0.254  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -3.282   0.354  -1.089  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -5.734  -2.171   0.044  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -5.684   0.089   1.308  0.00  0.00    +0.105 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -6.515   2.284   0.263  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -5.548   1.626   1.236  0.00  0.00    +0.012 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -4.809  -0.413   2.441  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -3.707  -0.003   2.767  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -5.389  -1.414   3.138  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -4.727  -1.623   3.830  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  O   LIG    1       -0.062  -1.231  -1.669  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        0.682  -2.360  -1.210  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.156  -2.159  -1.542  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.872  -1.075  -0.805  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        2.546  -0.310   0.301  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        1.399  -0.194   1.219  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        3.591   0.537   0.546  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        4.513   0.244  -0.420  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1        4.136  -0.718  -1.239  0.00  0.00    -0.214 NA
BRANCH  24  26
ATOM     26  C   LIG    1        5.754   1.014  -0.404  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        5.963   2.067   0.499  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        7.160   2.792   0.489  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        8.170   2.484  -0.430  0.00  0.00    -0.050 A 
ATOM     30  C   LIG    1        9.465   3.239  -0.418  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1        7.973   1.427  -1.325  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        6.775   0.705  -1.315  0.00  0.00    +0.013 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 9