REMARK  Name = BDB047899
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.256   0.330  -0.028  0.00  0.00    +0.164 A 
ATOM      2  N   LIG    1       -0.607  -0.703  -0.133  0.00  0.00    -0.223 NA
ATOM      3  C   LIG    1       -1.923  -0.426  -0.058  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1       -2.415   0.863   0.120  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1       -3.809   1.105   0.193  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -4.711   0.047   0.086  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -4.230  -1.245  -0.093  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -1.427   1.830   0.213  0.00  0.00    +0.224 A 
ATOM      9  C   LIG    1       -2.854  -1.458  -0.161  0.00  0.00    +0.143 A 
ATOM     10  N   LIG    1       -0.110   1.613   0.146  0.00  0.00    -0.193 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        4.464  -0.539  -0.265  0.00  0.00    +0.117 A 
ATOM     12  C   LIG    1        3.541  -1.569  -0.368  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        2.173  -1.285  -0.291  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        1.702   0.030  -0.109  0.00  0.00    +0.019 A 
ATOM     15  C   LIG    1        2.672   1.049  -0.009  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        4.043   0.771  -0.086  0.00  0.00    +0.046 A 
BRANCH  11  17
ATOM     17  O   LIG    1        5.786  -0.858  -0.345  0.00  0.00    -0.507 OA
ATOM     18  H   LIG    1        6.309  -0.044  -0.257  0.00  0.00    +0.292 HD
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   8  19
ATOM     19  O   LIG    1       -1.743   3.142   0.390  0.00  0.00    -0.492 OA
ATOM     20  H   LIG    1       -0.854   3.539   0.413  0.00  0.00    +0.294 HD
ENDBRANCH   8  19
BRANCH   9  21
ATOM     21  O   LIG    1       -2.416  -2.749  -0.339  0.00  0.00    -0.505 OA
ATOM     22  H   LIG    1       -1.440  -2.678  -0.359  0.00  0.00    +0.292 HD
ENDBRANCH   9  21
TORSDOF 4