REMARK  Name = BDB014225
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.295  -0.316  -0.391  0.00  0.00    +0.047 A 
ATOM      2  N   LIG    1       -0.016  -0.005  -0.106  0.00  0.00    -0.354 N 
ATOM      3  H   LIG    1       -0.346   0.916   0.159  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1       -0.820  -1.111  -0.253  0.00  0.00    +0.079 A 
ATOM      5  C   LIG    1        0.010  -2.157  -0.642  0.00  0.00    +0.090 A 
ATOM      6  N   LIG    1       -0.437  -3.411  -0.883  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1       -1.764  -3.587  -0.718  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1       -2.663  -2.606  -0.334  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -2.195  -1.312  -0.087  0.00  0.00    +0.086 A 
ATOM     10  C   LIG    1        1.330  -1.656  -0.727  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -3.154  -0.263   0.323  0.00  0.00    +0.341 C 
ATOM     12  O   LIG    1       -4.349  -0.468   0.457  0.00  0.00    -0.245 OA
BRANCH  11  13
ATOM     13  O   LIG    1       -2.524   0.924   0.519  0.00  0.00    -0.464 OA
ATOM     14  C   LIG    1       -3.399   1.982   0.918  0.00  0.00    +0.280 C 
ENDBRANCH  11  13
ENDBRANCH   9  11
BRANCH   1  15
ATOM     15  C   LIG    1        2.380   0.701  -0.305  0.00  0.00    +0.160 C 
BRANCH  15  17
ATOM     16  C   LIG    1        3.904   2.013   1.232  0.00  0.00    +0.007 C 
ATOM     17  C   LIG    1        2.760   1.011   1.143  0.00  0.00    +0.034 C 
ENDBRANCH  15  17
BRANCH  15  18
ATOM     18  O   LIG    1        1.867   1.872  -0.929  0.00  0.00    -0.386 OA
ATOM     19  H   LIG    1        1.763   1.653  -1.872  0.00  0.00    +0.210 HD
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 5