REMARK  Name = BDB051255
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.763  -2.902   0.212  0.00  0.00    +0.150 A 
ATOM      2  N   LIG    1       -0.360  -3.080   1.025  0.00  0.00    -0.160 NA
ATOM      3  N   LIG    1       -0.071  -2.421   2.159  0.00  0.00    -0.215 N 
ATOM      4  C   LIG    1        1.154  -1.816   2.147  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1        1.503  -0.861   3.087  0.00  0.00    -0.307 N 
ATOM      6  H   LIG    1        2.374  -0.356   3.028  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1        0.548  -0.410   4.005  0.00  0.00    +0.259 A 
ATOM      8  C   LIG    1       -0.752  -1.181   4.075  0.00  0.00    +0.065 A 
ATOM      9  C   LIG    1       -1.722  -0.822   5.017  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -2.917  -1.548   5.077  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.167  -2.584   4.169  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -2.230  -2.915   3.195  0.00  0.00    +0.028 A 
ATOM     13  O   LIG    1        0.763   0.550   4.740  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -1.035  -2.194   3.151  0.00  0.00    +0.080 A 
ATOM     15  C   LIG    1        1.815  -2.339   1.050  0.00  0.00    +0.081 A 
ENDROOT
BRANCH   1  17
ATOM     16  O   LIG    1        1.272  -3.508  -1.993  0.00  0.00    -0.268 OA
ATOM     17  C   LIG    1        0.770  -2.700  -1.195  0.00  0.00    +0.267 C 
ATOM     18  N   LIG    1        0.313  -1.432  -1.684  0.00  0.00    -0.294 N 
ATOM     19  C   LIG    1       -0.151  -0.347  -0.795  0.00  0.00    +0.123 C 
ATOM     20  C   LIG    1       -0.544   0.988  -1.473  0.00  0.00    +0.103 C 
ATOM     21  N   LIG    1        0.376   1.342  -2.584  0.00  0.00    -0.299 NA
ATOM     22  C   LIG    1        0.226   0.262  -3.582  0.00  0.00    +0.103 C 
ATOM     23  C   LIG    1        0.752  -1.081  -3.040  0.00  0.00    +0.123 C 
BRANCH  21  24
ATOM     24  C   LIG    1        0.006   2.645  -3.169  0.00  0.00    +0.088 C 
BRANCH  24  25
ATOM     25  C   LIG    1        0.326   3.798  -2.247  0.00  0.00    +0.003 C 
ATOM     26  C   LIG    1        1.499   3.770  -1.284  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        1.556   4.646  -2.501  0.00  0.00    +0.005 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   1  17
TORSDOF 3