REMARK  Name = BDB057243
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.299  -0.099   0.102  0.00  0.00    +0.143 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.078   0.291  -0.383  0.00  0.00    -0.026 A 
ATOM      3  C   LIG    1        1.195   0.144   0.451  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        2.481   0.501   0.015  0.00  0.00    +0.006 A 
ATOM      5  C   LIG    1        2.637   1.018  -1.281  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1        1.533   1.173  -2.124  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1        0.263   0.810  -1.670  0.00  0.00    +0.050 A 
BRANCH   4   8
ATOM      8  C   LIG    1        3.608   0.322   0.923  0.00  0.00    +0.089 A 
ATOM      9  N   LIG    1        3.456  -0.165   2.221  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        4.669  -0.186   2.702  0.00  0.00    +0.110 A 
ATOM     11  C   LIG    1        5.322  -0.572   3.967  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1        6.810  -0.642   3.537  0.00  0.00    +0.029 C 
ATOM     13  C   LIG    1        6.933   0.243   2.282  0.00  0.00    +0.123 C 
ATOM     14  N   LIG    1        5.573   0.262   1.794  0.00  0.00    -0.334 N 
ATOM     15  C   LIG    1        4.946   0.588   0.650  0.00  0.00    +0.115 A 
ENDBRANCH   4   8
BRANCH   6  16
ATOM     16  O   LIG    1        1.559   1.665  -3.401  0.00  0.00    -0.495 OA
ATOM     17  C   LIG    1        2.831   2.006  -3.937  0.00  0.00    +0.277 C 
ENDBRANCH   6  16
ENDBRANCH   1   2
BRANCH   1  19
ATOM     18  C   LIG    1       -2.987  -1.104  -1.500  0.00  0.00    +0.247 C 
ATOM     19  N   LIG    1       -1.878  -1.210  -0.662  0.00  0.00    -0.293 N 
ATOM     20  O   LIG    1       -3.381  -1.998  -2.246  0.00  0.00    -0.270 OA
BRANCH  18  23
ATOM     21  C   LIG    1       -5.263   1.692  -0.400  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1       -4.512   0.515  -0.384  0.00  0.00    +0.058 A 
ATOM     23  C   LIG    1       -3.764   0.149  -1.507  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1       -3.790   0.926  -2.665  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1       -4.539   2.101  -2.681  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -5.269   2.485  -1.550  0.00  0.00    +0.045 A 
BRANCH  21  28
ATOM     27  C   LIG    1       -6.756   3.115   0.782  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -5.937   1.953   0.761  0.00  0.00    -0.495 OA
ENDBRANCH  21  28
ENDBRANCH  18  23
BRANCH  19  29
ATOM     29  C   LIG    1       -1.232  -2.517  -0.551  0.00  0.00    +0.112 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.617  -3.180   0.740  0.00  0.00    +0.006 C 
ATOM     31  C   LIG    1       -2.994  -3.769   0.921  0.00  0.00    +0.005 C 
ATOM     32  C   LIG    1       -1.801  -4.676   0.803  0.00  0.00    +0.005 C 
ENDBRANCH  29  30
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 8