REMARK  Name = BDB047386
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.595  -1.270   1.059  0.00  0.00    +0.127 A 
ATOM      2  C   LIG    1       -0.885  -1.141   2.267  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -0.918  -2.199   3.194  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1       -1.665  -3.361   2.953  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1       -2.383  -3.479   1.745  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1       -3.126  -4.647   1.502  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -3.163  -5.680   2.441  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.456  -5.561   3.633  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.710  -4.410   3.887  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -2.335  -2.432   0.808  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1       -0.059   0.101   2.549  0.00  0.00    +0.148 C 
BRANCH  11  12
ATOM     12  O   LIG    1       -0.044   0.394   3.948  0.00  0.00    -0.387 OA
ATOM     13  H   LIG    1       -0.973   0.377   4.239  0.00  0.00    +0.210 HD
ENDBRANCH  11  12
BRANCH  11  14
ATOM     14  C   LIG    1        1.381  -0.065   2.049  0.00  0.00    +0.036 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.164   1.251   2.123  0.00  0.00    +0.003 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.534   1.109   1.459  0.00  0.00    +0.000 C 
BRANCH  16  17
ATOM     17  C   LIG    1        4.313   2.422   1.387  0.00  0.00    +0.000 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.705   3.522   0.509  0.00  0.00    +0.001 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.546   3.144  -0.968  0.00  0.00    +0.011 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.131   2.698  -1.326  0.00  0.00    +0.120 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.059   2.285  -2.773  0.00  0.00    +0.307 C 
ATOM     22  O   LIG    1        1.967   3.068  -3.709  0.00  0.00    -0.251 OA
BRANCH  21  23
ATOM     23  O   LIG    1        2.141   0.930  -2.884  0.00  0.00    -0.468 OA
ATOM     24  C   LIG    1        2.094   0.449  -4.227  0.00  0.00    +0.280 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   2  11
BRANCH   1  25
ATOM     25  O   LIG    1       -1.477  -0.222   0.183  0.00  0.00    -0.492 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.365  -0.190  -0.935  0.00  0.00    +0.229 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.142   1.135  -1.661  0.00  0.00    +0.041 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.143   1.395  -2.788  0.00  0.00    +0.003 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -1.846   0.199  -4.631  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1       -3.172   0.347  -3.903  0.00  0.00    -0.003 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 16