REMARK  Name = BDB057274
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.153  -0.373   2.605  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.978   0.588   2.362  0.00  0.00    -0.030 A 
ATOM      3  C   LIG    1        1.995   0.269   1.449  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        3.047   1.160   1.188  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        3.063   2.391   1.853  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        2.048   2.725   2.754  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        1.009   1.830   3.005  0.00  0.00    +0.005 A 
BRANCH   4   8
ATOM      8  C   LIG    1        4.080   0.782   0.232  0.00  0.00    +0.089 A 
ATOM      9  N   LIG    1        3.941  -0.304  -0.630  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        5.051  -0.312  -1.316  0.00  0.00    +0.110 A 
ATOM     11  C   LIG    1        5.650  -1.127  -2.387  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1        7.129  -0.669  -2.334  0.00  0.00    +0.029 C 
ATOM     13  C   LIG    1        7.124   0.718  -1.669  0.00  0.00    +0.123 C 
ATOM     14  N   LIG    1        5.878   0.697  -0.940  0.00  0.00    -0.334 N 
ATOM     15  C   LIG    1        5.306   1.409   0.046  0.00  0.00    +0.115 A 
ENDBRANCH   4   8
ENDBRANCH   1   2
BRANCH   1  17
ATOM     16  C   LIG    1       -2.431  -0.758   1.782  0.00  0.00    +0.244 C 
ATOM     17  N   LIG    1       -1.179  -0.223   1.601  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1       -0.941   0.270   0.752  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1       -2.789  -1.311   2.816  0.00  0.00    -0.270 OA
BRANCH  16  23
ATOM     20  C   LIG    1       -5.250  -0.333  -1.424  0.00  0.00    +0.162 A 
ATOM     21  C   LIG    1       -5.684  -0.336  -0.082  0.00  0.00    +0.162 A 
ATOM     22  C   LIG    1       -4.747  -0.478   0.947  0.00  0.00    +0.062 A 
ATOM     23  C   LIG    1       -3.383  -0.606   0.650  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1       -2.956  -0.616  -0.681  0.00  0.00    +0.017 A 
ATOM     25  C   LIG    1       -3.888  -0.476  -1.714  0.00  0.00    +0.050 A 
BRANCH  20  27
ATOM     26  C   LIG    1       -5.859  -0.330  -3.736  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1       -6.231  -0.180  -2.374  0.00  0.00    -0.491 OA
ENDBRANCH  20  27
BRANCH  21  28
ATOM     28  O   LIG    1       -7.037  -0.196   0.116  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -7.514  -0.254   1.452  0.00  0.00    +0.277 C 
ENDBRANCH  21  28
ENDBRANCH  16  23
ENDBRANCH   1  17
TORSDOF 6