REMARK  Name = BDB052313
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.987   0.285  -0.293  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -1.722  -0.230   0.060  0.00  0.00    +0.105 A 
ATOM      3  C   LIG    1       -1.336  -0.277   1.456  0.00  0.00    +0.020 A 
ATOM      4  C   LIG    1       -0.079  -0.809   1.517  0.00  0.00    +0.117 A 
ATOM      5  N   LIG    1        0.257  -1.049   0.214  0.00  0.00    -0.266 N 
ATOM      6  C   LIG    1       -2.079   0.138   2.555  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -3.334   0.645   2.166  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -0.723  -0.761  -0.670  0.00  0.00    -0.170 NA
ATOM      9  C   LIG    1       -3.774   0.719   0.807  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  13
ATOM     10  N   LIG    1       -4.778   0.127  -1.898  0.00  0.00    -0.325 N 
ATOM     11  H   LIG    1       -5.325  -0.391  -1.225  0.00  0.00    +0.145 HD
ATOM     12  H   LIG    1       -5.054   0.066  -2.870  0.00  0.00    +0.145 HD
ATOM     13  C   LIG    1       -3.449   0.390  -1.685  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1       -2.720   0.704  -2.614  0.00  0.00    -0.270 OA
ENDBRANCH   1  13
BRANCH   5  15
ATOM     15  C   LIG    1        1.512  -1.617  -0.265  0.00  0.00    +0.178 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.636  -0.612  -0.216  0.00  0.00    -0.026 A 
ATOM     17  C   LIG    1        2.611   0.521  -1.044  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        3.650   1.452  -1.004  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.725   1.259  -0.139  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.763   0.137   0.686  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        3.725  -0.796   0.649  0.00  0.00    +0.005 A 
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 3