REMARK  Name = BDB002954
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.737   0.255   1.260  0.00  0.00    +0.000 C 
ATOM      2  C   LIG    1       -3.114   1.645   1.675  0.00  0.00    +0.186 C 
ATOM      3  O   LIG    1       -4.257   1.934   2.013  0.00  0.00    -0.287 OA
ATOM      4  C   LIG    1       -2.058   2.686   1.674  0.00  0.00    +0.098 C 
ATOM      5  C   LIG    1       -0.805   2.381   1.317  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1       -0.449   1.033   0.923  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1        0.813   0.760   0.562  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1        1.839   1.782   0.550  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1        1.502   3.164   0.993  0.00  0.00    +0.350 A 
ATOM     10  O   LIG    1        2.329   4.069   1.064  0.00  0.00    -0.244 OA
ATOM     11  C   LIG    1        3.105   1.534   0.159  0.00  0.00    +0.231 A 
ATOM     12  O   LIG    1        3.509   0.253  -0.233  0.00  0.00    -0.418 OA
ATOM     13  C   LIG    1        4.855   0.498  -0.374  0.00  0.00    +0.250 A 
ATOM     14  N   LIG    1        5.300   1.703  -0.177  0.00  0.00    -0.132 NA
ATOM     15  N   LIG    1        4.174   2.373   0.094  0.00  0.00    -0.242 N 
ATOM     16  H   LIG    1        4.138   3.299   0.527  0.00  0.00    +0.192 HD
ATOM     17  O   LIG    1        0.195   3.379   1.331  0.00  0.00    -0.422 OA
ATOM     18  C   LIG    1       -1.462  -0.009   0.920  0.00  0.00    +0.019 C 
ENDROOT
BRANCH  13  19
ATOM     19  C   LIG    1        5.627  -0.696  -0.737  0.00  0.00    +0.080 A 
ATOM     20  C   LIG    1        6.904  -0.925  -0.212  0.00  0.00    +0.132 A 
ATOM     21  C   LIG    1        7.613  -2.075  -0.570  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        7.066  -2.981  -1.479  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        5.802  -2.749  -2.021  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        5.081  -1.612  -1.649  0.00  0.00    +0.017 A 
BRANCH  20  25
ATOM     25  O   LIG    1        7.436  -0.097   0.739  0.00  0.00    -0.494 OA
ATOM     26  C   LIG    1        8.443   0.742   0.169  0.00  0.00    +0.277 C 
ENDBRANCH  20  25
ENDBRANCH  13  19
BRANCH   1  27
ATOM     27  C   LIG    1       -3.819  -0.791   1.284  0.00  0.00    +0.039 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.738  -0.697   0.062  0.00  0.00    +0.005 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.827  -1.774   0.107  0.00  0.00    +0.000 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -6.781  -1.711  -1.091  0.00  0.00    -0.000 C 
BRANCH  30  32
ATOM     31  C   LIG    1       -7.898   0.530  -0.533  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1       -8.083  -0.948  -0.831  0.00  0.00    -0.003 C 
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 7