REMARK  Name = BDB008583
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.029  -1.243  -1.003  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -3.246  -2.019  -1.533  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1   8
ATOM      3  N   LIG    1        3.009  -1.088  -0.884  0.00  0.00    -0.329 N 
ATOM      4  C   LIG    1        1.759  -1.643  -1.217  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        1.879  -2.801  -1.983  0.00  0.00    -0.025 A 
ATOM      6  C   LIG    1        0.772  -3.481  -2.458  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -0.498  -2.988  -2.140  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1       -0.660  -1.827  -1.353  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1        3.325  -3.101  -2.195  0.00  0.00    +0.056 C 
ATOM     10  C   LIG    1        0.499  -1.159  -0.904  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        3.950  -2.196  -1.117  0.00  0.00    +0.110 C 
BRANCH   3  12
ATOM     12  C   LIG    1        3.130  -0.294   0.336  0.00  0.00    +0.107 C 
BRANCH  12  13
ATOM     13  C   LIG    1        2.943   1.190   0.025  0.00  0.00    +0.047 C 
BRANCH  13  14
ATOM     14  C   LIG    1        2.830   2.009   1.303  0.00  0.00    +0.161 C 
BRANCH  14  16
ATOM     15  C   LIG    1        2.534   4.202   2.104  0.00  0.00    +0.193 C 
ATOM     16  O   LIG    1        2.718   3.389   0.953  0.00  0.00    -0.383 OA
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   3  12
ENDBRANCH   1   8
BRANCH   1  17
ATOM     17  N   LIG    1       -2.170  -0.975   0.456  0.00  0.00    -0.289 N 
ATOM     18  C   LIG    1       -2.203   0.300   1.038  0.00  0.00    +0.246 C 
ATOM     19  O   LIG    1       -2.535   0.457   2.220  0.00  0.00    -0.273 OA
BRANCH  18  20
ATOM     20  C   LIG    1       -1.837   1.529   0.181  0.00  0.00    +0.217 C 
ATOM     21  O   LIG    1       -1.082   2.472   0.965  0.00  0.00    -0.365 OA
ATOM     22  C   LIG    1       -1.305   3.835   0.586  0.00  0.00    +0.176 C 
ATOM     23  C   LIG    1       -1.675   3.995  -0.896  0.00  0.00    +0.109 C 
ATOM     24  N   LIG    1       -2.911   3.281  -1.269  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1       -3.707   3.917  -1.199  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -3.145   2.139  -0.361  0.00  0.00    +0.122 C 
ENDBRANCH  18  20
BRANCH  17  27
ATOM     27  C   LIG    1       -2.505  -2.105   1.311  0.00  0.00    +0.077 C 
ATOM     28  C   LIG    1       -1.687  -2.414   2.542  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1       -1.686  -3.369   1.393  0.00  0.00    +0.024 C 
ENDBRANCH  17  27
ENDBRANCH   1  17
TORSDOF 8