REMARK  Name = BDB046174
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.660   1.522  -0.591  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -3.963   1.005  -0.593  0.00  0.00    +0.174 A 
ATOM      3  C   LIG    1       -4.310  -0.286  -0.239  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -5.728  -0.330  -0.408  0.00  0.00    +0.121 A 
ATOM      5  N   LIG    1       -6.191   0.866  -0.810  0.00  0.00    -0.077 NA
ATOM      6  C   LIG    1       -3.292  -1.159   0.178  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1       -1.970  -0.688   0.208  0.00  0.00    +0.047 A 
ATOM      8  O   LIG    1       -5.089   1.687  -0.933  0.00  0.00    -0.354 OA
ATOM      9  C   LIG    1       -1.653   0.625  -0.166  0.00  0.00    +0.127 A 
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -6.638  -1.452  -0.191  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -7.878  -1.243   0.431  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -8.752  -2.310   0.649  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -8.399  -3.595   0.241  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -7.175  -3.814  -0.390  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -6.299  -2.747  -0.607  0.00  0.00    +0.010 A 
ENDBRANCH   4  10
BRANCH   1  16
ATOM     16  C   LIG    1       -2.361   2.947  -0.979  0.00  0.00    +0.042 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -2.021   5.304  -0.155  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1       -2.314   3.866   0.243  0.00  0.00    +0.001 C 
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   9  19
ATOM     19  O   LIG    1       -0.383   1.147  -0.153  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        0.680   0.316   0.311  0.00  0.00    +0.229 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.962   1.145   0.270  0.00  0.00    +0.044 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.187   0.409   0.806  0.00  0.00    +0.044 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.610  -0.777  -0.059  0.00  0.00    +0.229 C 
BRANCH  23  24
ATOM     24  O   LIG    1        4.778  -1.395   0.482  0.00  0.00    -0.492 OA
BRANCH  24  25
ATOM     25  C   LIG    1        6.007  -0.973   0.057  0.00  0.00    +0.121 A 
ATOM     26  C   LIG    1        7.074  -1.753   0.513  0.00  0.00    +0.060 A 
ATOM     27  C   LIG    1        8.391  -1.435   0.161  0.00  0.00    +0.062 A 
ATOM     28  C   LIG    1        8.640  -0.323  -0.651  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1        7.579   0.461  -1.101  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        6.266   0.138  -0.746  0.00  0.00    +0.046 A 
BRANCH  27  31
ATOM     31  C   LIG    1        9.546  -2.240   0.622  0.00  0.00    +0.337 C 
ATOM     32  O   LIG    1       10.715  -2.025   0.358  0.00  0.00    -0.245 OA
BRANCH  31  33
ATOM     33  O   LIG    1        9.186  -3.281   1.393  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1       10.037  -3.712   1.619  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  27  31
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   9  19
TORSDOF 12