REMARK  Name = BDB014239
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.038  -1.026   0.394  0.00  0.00    +0.055 A 
ATOM      2  N   LIG    1        0.787   0.113   0.611  0.00  0.00    -0.354 N 
ATOM      3  H   LIG    1        0.412   1.007   0.913  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1        2.116  -0.121   0.356  0.00  0.00    +0.079 A 
ATOM      5  C   LIG    1        2.222  -1.451  -0.031  0.00  0.00    +0.090 A 
ATOM      6  N   LIG    1        3.396  -2.037  -0.361  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1        4.477  -1.232  -0.291  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1        4.463   0.102   0.082  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        3.247   0.697   0.422  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1        0.924  -2.014  -0.005  0.00  0.00    +0.054 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -2.102  -2.386   0.383  0.00  0.00    +0.053 C 
ATOM     12  C   LIG    1       -1.453  -1.014   0.604  0.00  0.00    +0.128 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.150   0.037  -0.262  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1       -1.961   0.053  -1.658  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1       -2.595   1.004  -2.459  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -3.433   1.954  -1.883  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.640   1.953  -0.506  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -3.005   1.002   0.297  0.00  0.00    +0.007 A 
ENDBRANCH  12  13
BRANCH  12  19
ATOM     19  O   LIG    1       -1.602  -0.689   1.989  0.00  0.00    -0.378 OA
ATOM     20  H   LIG    1       -1.138  -1.385   2.486  0.00  0.00    +0.211 HD
ENDBRANCH  12  19
ENDBRANCH   1  12
BRANCH   9  21
ATOM     21  C   LIG    1        3.216   2.115   0.822  0.00  0.00    +0.339 C 
ATOM     22  O   LIG    1        4.182   2.853   0.882  0.00  0.00    -0.245 OA
BRANCH  21  23
ATOM     23  O   LIG    1        1.981   2.553   1.129  0.00  0.00    -0.477 OA
ATOM     24  H   LIG    1        2.123   3.495   1.363  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH   9  21
TORSDOF 5