REMARK  Name = BDB056853
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.880  -1.010   0.210  0.00  0.00    +0.105 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        4.140  -0.283   0.253  0.00  0.00    -0.315 N 
ATOM      3  H   LIG    1        4.285   0.400  -0.478  0.00  0.00    +0.149 HD
ATOM      4  C   LIG    1        4.972  -0.357   1.340  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1        4.727  -1.088   2.306  0.00  0.00    -0.275 OA
BRANCH   4   6
ATOM      6  C   LIG    1        6.242   0.476   1.358  0.00  0.00    +0.194 C 
BRANCH   6   7
ATOM      7  C   LIG    1        6.387   1.233   2.666  0.00  0.00    +0.317 C 
ATOM      8  O   LIG    1        6.818   2.379   2.737  0.00  0.00    -0.250 OA
BRANCH   7   9
ATOM      9  O   LIG    1        6.046   0.548   3.776  0.00  0.00    -0.480 OA
ATOM     10  H   LIG    1        5.641  -0.338   3.600  0.00  0.00    +0.295 HD
ENDBRANCH   7   9
ENDBRANCH   6   7
BRANCH   6  11
ATOM     11  C   LIG    1        6.435   1.410   0.161  0.00  0.00    +0.151 C 
BRANCH  11  12
ATOM     12  P   LIG    1        8.059   2.143   0.094  0.00  0.00    +0.329 P 
ATOM     13  O   LIG    1        9.188   1.282   0.541  0.00  0.00    -0.259 OA
BRANCH  12  14
ATOM     14  O   LIG    1        8.198   2.700  -1.402  0.00  0.00    -0.324 OA
ATOM     15  H   LIG    1        7.715   3.535  -1.544  0.00  0.00    +0.220 HD
ENDBRANCH  12  14
BRANCH  12  16
ATOM     16  O   LIG    1        7.969   3.541   0.868  0.00  0.00    -0.324 OA
ATOM     17  H   LIG    1        7.745   3.411   1.824  0.00  0.00    +0.220 HD
ENDBRANCH  12  16
ENDBRANCH  11  12
ENDBRANCH   6  11
ENDBRANCH   4   6
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        1.769  -0.223   0.912  0.00  0.00    +0.025 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.371  -0.913   0.981  0.00  0.00    -0.033 C 
ATOM     20  C   LIG    1        0.473  -2.228   1.775  0.00  0.00    +0.011 C 
ATOM     21  C   LIG    1       -0.558   0.047   1.750  0.00  0.00    +0.011 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -0.156  -1.179  -0.461  0.00  0.00    +0.010 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -1.543  -1.828  -0.623  0.00  0.00    +0.027 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -3.777  -0.981   0.327  0.00  0.00    -0.076 C 
ATOM     25  C   LIG    1       -2.694  -0.870  -0.468  0.00  0.00    -0.028 C 
ATOM     26  C   LIG    1       -4.007  -2.133   1.276  0.00  0.00    +0.039 C 
BRANCH  24  27
ATOM     27  C   LIG    1       -4.907   0.045   0.380  0.00  0.00    +0.034 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.002   1.130  -0.706  0.00  0.00    +0.031 C 
BRANCH  28  31
ATOM     29  C   LIG    1       -7.877   1.204  -1.952  0.00  0.00    +0.038 C 
ATOM     30  C   LIG    1       -6.651   0.624  -2.599  0.00  0.00    -0.080 C 
ATOM     31  C   LIG    1       -5.424   0.586  -2.046  0.00  0.00    -0.028 C 
ATOM     32  C   LIG    1       -6.888   0.038  -3.965  0.00  0.00    +0.038 C 
ENDBRANCH  28  31
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 16