REMARK  Name = BDB013037
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.532   0.471   0.472  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -0.195   1.522   1.095  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -1.487   1.251   1.479  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.941   2.398   2.062  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.005   3.320   2.027  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -2.111   0.010   1.281  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -1.429  -0.955   0.724  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.098   2.767   1.414  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -0.126  -0.703   0.343  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        4.630   0.783  -0.836  0.00  0.00    -0.046 A 
ATOM     11  C   LIG    1        4.236   1.266   0.418  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        2.907   1.161   0.838  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        1.938   0.571   0.015  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        2.330   0.111  -1.251  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        3.660   0.216  -1.671  0.00  0.00    +0.004 A 
BRANCH  10  16
ATOM     16  C   LIG    1        6.064   0.913  -1.287  0.00  0.00    +0.050 C 
BRANCH  16  17
ATOM     17  C   LIG    1        6.794  -0.405  -1.626  0.00  0.00    +0.088 C 
BRANCH  17  19
ATOM     18  C   LIG    1        6.082  -2.028   0.067  0.00  0.00    +0.104 C 
ATOM     19  N   LIG    1        7.199  -1.313  -0.541  0.00  0.00    -0.308 NA
ATOM     20  C   LIG    1        8.023  -0.667   0.474  0.00  0.00    +0.104 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  21
ATOM     21  N   LIG    1       -3.422  -0.151   1.687  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -3.981   0.685   1.803  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -4.220  -1.290   1.267  0.00  0.00    +0.140 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.027  -0.918   0.051  0.00  0.00    -0.024 A 
ATOM     25  C   LIG    1       -6.325  -0.423   0.140  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -7.204  -0.238   1.320  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -8.315   0.593   0.678  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -8.309   0.366  -0.749  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -7.038  -0.081  -1.001  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -6.506  -0.205  -2.267  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1       -5.199  -0.678  -2.381  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -4.466  -1.026  -1.234  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 7