REMARK  Name = BDB024559
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.346   0.411  -0.680  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.178   0.992  -0.151  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.257   2.454   0.033  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        4.211   3.181  -1.322  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.205   3.000   0.995  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        1.822   2.587   0.540  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.762   1.093   0.407  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.527   0.430   0.592  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.703   0.963   0.851  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.559  -0.041   0.908  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -0.893  -1.247   0.778  0.00  0.00    -0.323 N 
ATOM     12  C   LIG    1        0.446  -0.949   0.537  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        1.574  -1.737   0.310  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.793  -1.073   0.104  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.917   0.327   0.097  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.433   0.988  -0.700  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.349  -2.617   0.873  0.00  0.00    +0.107 C 
ATOM     18  C   LIG    1       -1.570  -3.334  -0.477  0.00  0.00    +0.077 C 
ATOM     19  N   LIG    1       -2.172  -4.612  -0.023  0.00  0.00    -0.308 NA
ATOM     20  H   LIG    1       -1.550  -5.105   0.618  0.00  0.00    +0.123 HD
ATOM     21  C   LIG    1       -3.303  -4.009   0.706  0.00  0.00    +0.056 C 
ATOM     22  C   LIG    1       -3.963  -3.257  -0.450  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1       -2.756  -2.765  -1.260  0.00  0.00    +0.022 C 
ATOM     24  C   LIG    1       -2.603  -3.032   1.669  0.00  0.00    +0.045 C 
ENDBRANCH  11  17
BRANCH   1  26
ATOM     25  C   LIG    1        6.357  -1.365  -1.839  0.00  0.00    +0.282 C 
ATOM     26  O   LIG    1        5.179  -0.817  -1.245  0.00  0.00    -0.453 OA
ENDBRANCH   1  26
BRANCH  10  27
ATOM     27  C   LIG    1       -3.032   0.146   1.118  0.00  0.00    +0.109 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.573   1.471   0.619  0.00  0.00    -0.040 A 
ATOM     29  C   LIG    1       -3.548   2.605   1.443  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -4.047   3.825   0.984  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.570   3.926  -0.303  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.588   2.809  -1.137  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -4.089   1.587  -0.680  0.00  0.00    +0.004 A 
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 4