REMARK  Name = BDB012848
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.776   0.014   2.622  0.00  0.00    +0.076 C 
ATOM      2  C   LIG    1       -0.536   0.193   1.850  0.00  0.00    +0.119 C 
ATOM      3  N   LIG    1       -1.411  -0.888   2.292  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1       -2.549  -1.379   1.677  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -3.038  -2.449   2.045  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -0.795  -1.637   3.374  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        0.325  -0.739   3.878  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        3.251  -4.050   1.473  0.00  0.00    +0.066 C 
ATOM      9  C   LIG    1        2.964  -2.602   1.212  0.00  0.00    +0.042 A 
ATOM     10  N   LIG    1        2.059  -1.998   2.007  0.00  0.00    -0.237 NA
ATOM     11  C   LIG    1        1.798  -0.701   1.772  0.00  0.00    +0.135 A 
ATOM     12  N   LIG    1        2.382   0.024   0.802  0.00  0.00    -0.232 NA
ATOM     13  C   LIG    1        3.283  -0.608   0.020  0.00  0.00    +0.078 A 
ATOM     14  C   LIG    1        3.610  -1.937   0.190  0.00  0.00    +0.051 A 
BRANCH  13  15
ATOM     15  C   LIG    1        3.893   0.193  -1.029  0.00  0.00    +0.038 A 
ATOM     16  C   LIG    1        3.648   1.536  -1.236  0.00  0.00    +0.118 A 
ATOM     17  N   LIG    1        4.401   1.908  -2.309  0.00  0.00    -0.274 N 
ATOM     18  C   LIG    1        4.471   3.218  -2.910  0.00  0.00    +0.172 C 
ATOM     19  N   LIG    1        5.132   0.903  -2.823  0.00  0.00    -0.179 NA
ATOM     20  C   LIG    1        4.820  -0.137  -2.045  0.00  0.00    +0.144 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  C   LIG    1       -3.166  -0.646   0.597  0.00  0.00    +0.121 A 
ATOM     22  N   LIG    1       -4.112  -1.255  -0.188  0.00  0.00    -0.272 N 
ATOM     23  H   LIG    1       -4.448  -2.208  -0.095  0.00  0.00    +0.189 HD
ATOM     24  N   LIG    1       -4.611  -0.480  -1.164  0.00  0.00    -0.178 NA
ATOM     25  C   LIG    1       -3.997   0.695  -0.986  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1       -3.095   0.642   0.106  0.00  0.00    +0.057 A 
BRANCH  25  27
ATOM     27  C   LIG    1       -4.292   1.871  -1.872  0.00  0.00    +0.033 C 
ATOM     28  C   LIG    1       -3.915   1.595  -3.329  0.00  0.00    +0.014 C 
ATOM     29  C   LIG    1       -5.754   2.310  -1.767  0.00  0.00    +0.014 C 
ENDBRANCH  25  27
ENDBRANCH   4  21
TORSDOF 4