REMARK  Name = BDB003425
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.179   2.562   0.412  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -0.900   1.399   0.271  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -0.730   0.663   0.952  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1       -0.461   3.612  -0.160  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        1.012   2.455   1.368  0.00  0.00    +0.328 C 
BRANCH   5   6
ATOM      6  O   LIG    1        2.043   1.573   0.920  0.00  0.00    -0.452 OA
BRANCH   6   7
ATOM      7  C   LIG    1        1.835   0.261   1.164  0.00  0.00    +0.333 C 
ATOM      8  O   LIG    1        0.844  -0.220   1.696  0.00  0.00    -0.246 OA
BRANCH   7  10
ATOM      9  C   LIG    1        4.051  -0.092   0.097  0.00  0.00    +0.098 C 
ATOM     10  C   LIG    1        2.954  -0.577   0.698  0.00  0.00    +0.098 C 
BRANCH   9  11
ATOM     11  C   LIG    1        5.171  -0.934  -0.366  0.00  0.00    +0.332 C 
ATOM     12  O   LIG    1        6.175  -0.453  -0.867  0.00  0.00    -0.246 OA
BRANCH  11  13
ATOM     13  O   LIG    1        4.924  -2.249  -0.165  0.00  0.00    -0.462 OA
BRANCH  13  15
ATOM     14  C   LIG    1        6.967  -3.366   0.499  0.00  0.00    +0.048 C 
ATOM     15  C   LIG    1        5.950  -3.151  -0.606  0.00  0.00    +0.229 C 
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   7  10
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  16
ATOM     16  C   LIG    1       -2.170   1.362  -0.431  0.00  0.00    +0.134 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.359   0.099  -1.272  0.00  0.00    -0.023 A 
ATOM     18  C   LIG    1       -1.554  -1.045  -1.140  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1       -1.778  -2.174  -1.935  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -2.809  -2.179  -2.871  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -3.620  -1.057  -3.016  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.397   0.071  -2.224  0.00  0.00    +0.006 A 
ENDBRANCH  16  17
BRANCH  16  23
ATOM     23  C   LIG    1       -3.293   1.595   0.578  0.00  0.00    -0.023 A 
ATOM     24  C   LIG    1       -3.771   0.564   1.404  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1       -4.779   0.809   2.338  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.314   2.089   2.468  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.838   3.127   1.669  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.832   2.883   0.733  0.00  0.00    +0.006 A 
ENDBRANCH  16  23
ENDBRANCH   2  16
TORSDOF 10