REMARK  Name = BDB045901
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.294  -2.119  -0.055  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -1.097  -1.512  -1.019  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -2.429  -1.195  -0.730  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -2.978  -1.474   0.526  0.00  0.00    -0.045 A 
ATOM      5  C   LIG    1       -2.167  -2.088   1.489  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.838  -2.406   1.198  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        1.015  -2.480  -0.206  0.00  0.00    -0.492 OA
BRANCH   7   8
ATOM      8  C   LIG    1        1.642  -2.153  -1.451  0.00  0.00    +0.235 C 
BRANCH   8   9
ATOM      9  C   LIG    1        3.102  -2.600  -1.398  0.00  0.00    +0.100 C 
BRANCH   9  12
ATOM     10  C   LIG    1        3.530  -2.277   1.934  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        4.101  -1.579   0.770  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        3.950  -1.677  -0.597  0.00  0.00    +0.086 A 
ATOM     13  N   LIG    1        4.744  -0.735  -1.214  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        5.338  -0.104  -0.217  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        4.989  -0.572   1.023  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        6.296   0.998  -0.263  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        6.697   1.517  -1.503  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        7.611   2.571  -1.578  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        8.137   3.120  -0.411  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        7.751   2.617   0.830  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        6.836   1.562   0.903  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -4.417  -1.131   0.851  0.00  0.00    +0.065 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.764   0.377   0.973  0.00  0.00    +0.170 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.718   1.170  -0.298  0.00  0.00    -0.290 NA
ATOM     25  C   LIG    1       -5.152   2.567  -0.098  0.00  0.00    +0.085 C 
ATOM     26  C   LIG    1       -6.669   2.568  -0.230  0.00  0.00    +0.017 C 
ATOM     27  C   LIG    1       -7.000   1.298  -0.998  0.00  0.00    +0.017 C 
ATOM     28  C   LIG    1       -5.649   0.686  -1.330  0.00  0.00    +0.085 C 
ENDBRANCH  23  24
BRANCH  23  29
ATOM     29  C   LIG    1       -3.849   0.944   2.071  0.00  0.00    +0.322 C 
ATOM     30  O   LIG    1       -4.003   0.755   3.271  0.00  0.00    -0.249 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -2.784   1.650   1.641  0.00  0.00    -0.480 OA
ATOM     32  H   LIG    1       -2.274   1.849   2.450  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 10