REMARK  Name = BDB022885
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.679   0.829  -3.167  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -0.469   1.126  -2.285  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -0.651   1.059  -0.816  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -1.840   1.456  -0.192  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -1.879   2.459   0.522  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        0.540   1.528  -0.091  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        1.833   0.921  -0.583  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        1.894   0.331  -1.830  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        3.125  -0.171  -2.183  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        4.217  -0.082  -1.404  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        4.073   0.528  -0.222  0.00  0.00    +0.216 A 
ATOM     12  N   LIG    1        2.914   1.030   0.222  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1        0.685   0.185  -2.700  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -3.054   0.522  -0.346  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -4.212   0.969   0.588  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -3.941   0.555   2.059  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -3.536  -0.852   2.229  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -3.275  -1.141   3.639  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -2.371  -1.183   1.408  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -2.665  -0.939  -0.072  0.00  0.00    +0.029 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -5.569   0.548   0.021  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -6.192   1.384  -0.924  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -7.423   1.042  -1.487  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -8.052  -0.143  -1.118  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -7.448  -0.985  -0.188  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.215  -0.643   0.376  0.00  0.00    +0.004 A 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  27
ATOM     27  N   LIG    1        5.149   0.679   0.642  0.00  0.00    -0.310 N 
ATOM     28  H   LIG    1        4.724   0.895   1.538  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1        6.119  -0.415   0.652  0.00  0.00    +0.077 C 
ATOM     30  C   LIG    1        7.149  -0.241  -0.476  0.00  0.00    +0.050 C 
ATOM     31  C   LIG    1        8.535  -0.725  -0.070  0.00  0.00    +0.161 C 
ATOM     32  O   LIG    1        8.424  -1.860   0.780  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1        7.879  -1.535   2.059  0.00  0.00    +0.161 C 
ATOM     34  C   LIG    1        6.830  -0.429   2.008  0.00  0.00    +0.050 C 
ENDBRANCH  27  29
ENDBRANCH  11  27
TORSDOF 4