REMARK  Name = BDB017395
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.992   1.220  -0.661  0.00  0.00    +0.161 C 
ATOM      2  C   LIG    1       -1.682   0.425  -0.507  0.00  0.00    +0.238 C 
ATOM      3  O   LIG    1       -1.427  -0.240   0.499  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.782   0.565  -1.533  0.00  0.00    -0.263 N 
ATOM      5  C   LIG    1       -1.077   1.082  -2.850  0.00  0.00    +0.209 C 
ATOM      6  C   LIG    1        0.280   1.116  -3.545  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1        0.988  -0.099  -2.951  0.00  0.00    +0.036 C 
ATOM      8  O   LIG    1       -1.707   2.355  -2.879  0.00  0.00    -0.359 OA
ATOM      9  C   LIG    1       -1.629   3.136  -1.696  0.00  0.00    +0.164 C 
ATOM     10  C   LIG    1        0.518  -0.095  -1.493  0.00  0.00    +0.165 C 
ATOM     11  C   LIG    1       -2.696   2.720  -0.682  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -4.740  -0.190   0.347  0.00  0.00    +0.230 C 
ATOM     13  N   LIG    1       -3.876   0.883   0.456  0.00  0.00    -0.303 N 
ATOM     14  H   LIG    1       -3.464   1.031   1.369  0.00  0.00    +0.149 HD
ATOM     15  O   LIG    1       -4.980  -0.727  -0.736  0.00  0.00    -0.274 OA
BRANCH  12  16
ATOM     16  C   LIG    1       -5.467  -0.603   1.659  0.00  0.00    +0.137 C 
ATOM     17  C   LIG    1       -4.553  -0.676   2.881  0.00  0.00    +0.034 C 
BRANCH  16  19
ATOM     18  C   LIG    1       -5.406  -3.057   1.400  0.00  0.00    +0.101 C 
ATOM     19  N   LIG    1       -6.236  -1.857   1.445  0.00  0.00    -0.309 NA
ATOM     20  H   LIG    1       -6.687  -1.764   0.529  0.00  0.00    +0.122 HD
ENDBRANCH  16  19
ENDBRANCH  12  16
ENDBRANCH   1  13
BRANCH  10  21
ATOM     21  C   LIG    1        1.531   0.665  -0.601  0.00  0.00    +0.238 C 
ATOM     22  N   LIG    1        2.616  -0.131  -0.254  0.00  0.00    -0.283 N 
ATOM     23  H   LIG    1        2.541  -1.104  -0.506  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        1.375   1.849  -0.316  0.00  0.00    -0.273 OA
BRANCH  22  25
ATOM     25  C   LIG    1        3.779   0.232   0.478  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1        4.754  -0.774   0.794  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        5.917  -0.387   1.512  0.00  0.00    -0.016 A 
ATOM     28  C   LIG    1        6.902  -1.332   1.845  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1        6.767  -2.670   1.485  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.643  -3.079   0.786  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        6.096   0.947   1.899  0.00  0.00    +0.008 A 
ATOM     32  C   LIG    1        5.146   1.910   1.587  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1        4.654  -2.149   0.447  0.00  0.00    +0.010 A 
ATOM     34  C   LIG    1        3.999   1.555   0.882  0.00  0.00    +0.024 A 
ENDBRANCH  22  25
ENDBRANCH  10  21
TORSDOF 5