REMARK  Name = BDB025157
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.474   0.128   0.707  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.455   0.570  -0.156  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.732   1.643  -1.143  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.663   1.144  -2.264  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.489   2.243  -1.819  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.355   2.380  -0.829  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.038   1.005  -0.318  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.709   0.576  -0.119  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.457   1.255  -0.357  0.00  0.00    -0.229 NA
ATOM     10  C   LIG    1       -1.440   0.437  -0.032  0.00  0.00    +0.140 A 
ATOM     11  N   LIG    1       -0.934  -0.760   0.450  0.00  0.00    -0.322 N 
ATOM     12  C   LIG    1        0.445  -0.690   0.386  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        1.472  -1.577   0.717  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.790  -1.142   0.524  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.095   0.130   0.020  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        5.364  -0.716   1.590  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.723  -1.892   0.934  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -1.579  -3.133   0.037  0.00  0.00    +0.039 C 
ATOM     19  C   LIG    1       -2.541  -4.262   0.453  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1       -2.871  -4.261   1.952  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -1.741  -3.667   2.783  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -1.481  -2.202   2.425  0.00  0.00    +0.025 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -3.829  -4.258  -0.341  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -4.475  -5.247  -0.649  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -4.284  -3.029  -0.646  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -5.132  -3.200  -1.109  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        7.718   0.396   1.365  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        6.654   0.786   0.495  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -2.906   0.757  -0.128  0.00  0.00    +0.183 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.220   1.972  -1.015  0.00  0.00    +0.025 C 
ATOM     31  C   LIG    1       -2.841   3.348  -0.458  0.00  0.00    +0.006 C 
ATOM     32  C   LIG    1       -3.614   4.321  -1.342  0.00  0.00    +0.000 C 
ATOM     33  C   LIG    1       -4.870   3.572  -1.782  0.00  0.00    +0.000 C 
ATOM     34  C   LIG    1       -4.725   2.150  -1.248  0.00  0.00    +0.006 C 
ENDBRANCH  29  30
BRANCH  29  35
ATOM     35  O   LIG    1       -3.374   0.945   1.206  0.00  0.00    -0.384 OA
ATOM     36  H   LIG    1       -2.779   1.603   1.612  0.00  0.00    +0.210 HD
ENDBRANCH  29  35
ENDBRANCH  10  29
TORSDOF 7