REMARK  Name = BDB011627
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.013  -0.370  -0.452  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -0.915  -0.721   0.536  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1       -0.483  -0.938   1.427  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.263  -0.259  -1.645  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.268  -0.876   0.421  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -3.163  -0.368  -0.666  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1       -2.861   0.433  -1.536  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -4.451  -0.876  -0.407  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1       -4.429  -1.467   0.893  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1       -5.285  -2.638   1.075  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1       -3.091  -1.470   1.305  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -2.698  -2.107   2.602  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.623  -0.127  -0.868  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -6.644  -1.025  -1.582  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -7.827  -0.214  -2.109  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -8.478   0.615  -1.005  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -7.465   1.518  -0.306  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -6.279   0.722   0.234  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1        2.701   0.448  -2.065  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1        2.554   0.166  -0.613  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        3.543   0.212   0.370  0.00  0.00    +0.167 A 
ATOM     22  O   LIG    1        2.941  -0.162   1.551  0.00  0.00    -0.354 OA
ATOM     23  N   LIG    1        1.606  -0.414   1.375  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1        1.355  -0.203   0.074  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1        4.937   0.578   0.292  0.00  0.00    -0.006 C 
ATOM     26  C   LIG    1        5.499   1.544  -0.735  0.00  0.00    +0.039 C 
ATOM     27  C   LIG    1        6.885   2.100  -0.392  0.00  0.00    +0.011 C 
ATOM     28  C   LIG    1        7.852   1.010   0.112  0.00  0.00    -0.031 C 
ATOM     29  C   LIG    1        9.190   1.658   0.508  0.00  0.00    +0.011 C 
ATOM     30  C   LIG    1        8.132  -0.029  -0.993  0.00  0.00    +0.011 C 
ATOM     31  C   LIG    1        7.227   0.326   1.347  0.00  0.00    +0.034 C 
ATOM     32  C   LIG    1        5.753   0.050   1.230  0.00  0.00    -0.019 C 
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 4