REMARK  Name = BDB048294
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.204  -0.869  -1.497  0.00  0.00    +0.023 A 
ATOM      2  C   LIG    1       -1.244  -1.136  -2.401  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -2.532  -1.425  -1.940  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -2.797  -1.433  -0.572  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -1.769  -1.192   0.341  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -0.481  -0.904  -0.121  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        3.189  -0.081  -1.921  0.00  0.00    +0.248 A 
ATOM      8  O   LIG    1        2.849  -0.196  -3.234  0.00  0.00    -0.336 OA
ATOM      9  N   LIG    1        1.496  -0.522  -3.264  0.00  0.00    -0.056 NA
ATOM     10  C   LIG    1        1.145  -0.567  -1.967  0.00  0.00    +0.202 A 
ATOM     11  N   LIG    1        2.186  -0.306  -1.099  0.00  0.00    -0.190 NA
BRANCH   7  12
ATOM     12  C   LIG    1        4.615   0.245  -1.617  0.00  0.00    +0.159 C 
ATOM     13  C   LIG    1        5.411  -1.033  -1.371  0.00  0.00    +0.038 C 
BRANCH  12  16
ATOM     14  C   LIG    1        4.440   3.194   0.749  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1        4.625   2.463  -0.552  0.00  0.00    +0.211 C 
ATOM     16  N   LIG    1        4.656   1.093  -0.429  0.00  0.00    -0.304 N 
ATOM     17  H   LIG    1        4.234   0.701   0.404  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1        4.734   3.050  -1.623  0.00  0.00    -0.276 OA
ENDBRANCH  12  16
ENDBRANCH   7  12
ENDBRANCH   1  10
BRANCH   4  19
ATOM     19  O   LIG    1       -4.077  -1.756  -0.185  0.00  0.00    -0.456 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -4.656  -0.980   0.793  0.00  0.00    +0.128 A 
ATOM     21  C   LIG    1       -5.318  -1.648   1.824  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -5.954  -0.918   2.829  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -5.940   0.477   2.793  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.297   1.144   1.749  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -4.660   0.416   0.742  0.00  0.00    +0.046 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5