REMARK  Name = BDB051943
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.274  -0.735  -0.516  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1        0.803  -0.805  -1.806  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        2.147  -1.151  -1.999  0.00  0.00    +0.061 A 
ATOM      4  C   LIG    1        2.978  -1.394  -0.900  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        2.465  -1.322   0.400  0.00  0.00    -0.045 A 
ATOM      6  C   LIG    1        1.112  -0.993   0.579  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.085  -0.151  -1.130  0.00  0.00    +0.250 C 
ATOM      8  N   LIG    1       -1.069  -0.417  -0.232  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1       -1.310  -0.332   0.747  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -1.969  -0.099  -2.348  0.00  0.00    -0.270 OA
BRANCH   7  19
ATOM     11  C   LIG    1       -6.486   2.805  -1.608  0.00  0.00    +0.113 C 
ATOM     12  C   LIG    1       -6.519   1.954  -0.373  0.00  0.00    +0.229 C 
ATOM     13  N   LIG    1       -5.394   1.117  -0.178  0.00  0.00    -0.287 N 
ATOM     14  C   LIG    1       -5.196   0.222   0.881  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1       -3.965  -0.421   0.687  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -3.577  -1.429   1.603  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1       -4.389  -1.737   2.697  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -5.588  -1.067   2.890  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -3.372   0.129  -0.491  0.00  0.00    +0.063 A 
ATOM     20  C   LIG    1       -6.011  -0.088   1.989  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1       -4.288   1.028  -1.004  0.00  0.00    +0.108 A 
ATOM     22  O   LIG    1       -7.440   1.963   0.434  0.00  0.00    -0.273 OA
ENDBRANCH   7  19
ENDBRANCH   1   8
BRANCH   3  23
ATOM     23  C   LIG    1        2.738  -1.234  -3.357  0.00  0.00    +0.337 C 
ATOM     24  O   LIG    1        3.885  -0.903  -3.604  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1        1.904  -1.759  -4.279  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1        1.059  -2.101  -3.933  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH   3  23
BRANCH   5  27
ATOM     27  C   LIG    1        3.360  -1.567   1.593  0.00  0.00    +0.040 C 
BRANCH  27  28
ATOM     28  C   LIG    1        3.873  -0.280   2.252  0.00  0.00    +0.040 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.914   0.439   1.427  0.00  0.00    -0.047 A 
ATOM     30  C   LIG    1        6.252   0.022   1.454  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1        7.209   0.667   0.669  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.838   1.729  -0.152  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        5.510   2.150  -0.188  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        4.552   1.510   0.599  0.00  0.00    +0.003 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 7