REMARK  Name = BDB045815
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.230   0.357  -3.794  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -1.537  -0.057  -3.533  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -2.313   0.595  -2.572  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -1.790   1.683  -1.865  0.00  0.00    -0.044 A 
ATOM      5  C   LIG    1       -0.496   2.127  -2.164  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.279   1.469  -3.123  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.435  -0.393  -4.723  0.00  0.00    -0.484 OA
BRANCH   7   8
ATOM      8  C   LIG    1        1.873  -0.370  -4.705  0.00  0.00    +0.308 C 
BRANCH   8  12
ATOM      9  C   LIG    1        3.140  -1.506  -1.601  0.00  0.00    +0.259 A 
ATOM     10  O   LIG    1        3.407  -2.617  -2.354  0.00  0.00    -0.333 OA
ATOM     11  N   LIG    1        2.971  -2.339  -3.651  0.00  0.00    -0.057 NA
ATOM     12  C   LIG    1        2.477  -1.096  -3.549  0.00  0.00    +0.209 A 
ATOM     13  N   LIG    1        2.583  -0.538  -2.296  0.00  0.00    -0.188 NA
BRANCH   9  18
ATOM     14  C   LIG    1        4.366  -1.662   4.050  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1        4.080  -1.613   2.578  0.00  0.00    -0.050 A 
ATOM     16  C   LIG    1        4.478  -2.663   1.743  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        4.181  -2.636   0.376  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        3.475  -1.561  -0.183  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        3.074  -0.516   0.662  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1        3.363  -0.546   2.030  0.00  0.00    +0.004 A 
ENDBRANCH   9  18
ENDBRANCH   8  12
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  21
ATOM     21  C   LIG    1       -2.583   2.334  -0.758  0.00  0.00    +0.078 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.600   1.503   0.537  0.00  0.00    +0.231 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -1.249   1.659   1.261  0.00  0.00    +0.334 C 
ATOM     24  O   LIG    1       -1.042   2.401   2.212  0.00  0.00    -0.248 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -0.264   0.867   0.768  0.00  0.00    -0.479 OA
ATOM     26  H   LIG    1       -0.511   0.341  -0.019  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  22  23
BRANCH  22  27
ATOM     27  O   LIG    1       -3.701   1.994   1.310  0.00  0.00    -0.362 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -4.375   1.014   2.106  0.00  0.00    +0.113 C 
ATOM     29  C   LIG    1       -5.658   1.669   2.609  0.00  0.00    +0.037 C 
ATOM     30  C   LIG    1       -3.529   0.541   3.282  0.00  0.00    +0.037 C 
ENDBRANCH  27  28
ENDBRANCH  22  27
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 10