REMARK  Name = BDB015809
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.459   0.393  -0.240  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1        1.642   1.381  -0.651  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.632   1.023  -1.458  0.00  0.00    +0.326 A 
ATOM      4  O   LIG    1       -0.260   2.011  -1.831  0.00  0.00    -0.423 OA
ATOM      5  C   LIG    1       -1.160   2.370  -0.850  0.00  0.00    +0.135 A 
ATOM      6  C   LIG    1       -1.881   1.429  -0.102  0.00  0.00    +0.092 A 
ATOM      7  C   LIG    1       -2.833   1.850   0.827  0.00  0.00    +0.124 A 
ATOM      8  O   LIG    1       -3.625   1.039   1.595  0.00  0.00    -0.492 OA
ATOM      9  C   LIG    1       -3.606  -0.372   1.347  0.00  0.00    +0.233 C 
ATOM     10  C   LIG    1       -4.479  -0.732   0.140  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1       -4.428  -2.194  -0.212  0.00  0.00    -0.028 C 
ATOM     12  C   LIG    1       -3.780  -2.752  -1.250  0.00  0.00    -0.029 C 
ATOM     13  C   LIG    1       -2.897  -2.031  -2.233  0.00  0.00    +0.051 C 
ATOM     14  C   LIG    1       -1.646  -2.799  -2.634  0.00  0.00    +0.192 C 
ATOM     15  S   LIG    1       -0.489  -3.082  -1.291  0.00  0.00    +0.045 S 
ATOM     16  N   LIG    1        0.944  -2.456  -1.929  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        1.685  -3.150  -1.854  0.00  0.00    +0.175 HD
ATOM     18  C   LIG    1        1.250  -1.140  -1.509  0.00  0.00    +0.145 A 
ATOM     19  O   LIG    1       -0.246  -4.510  -1.214  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1       -0.835  -2.335  -0.102  0.00  0.00    -0.155 OA
ATOM     21  C   LIG    1       -3.040   3.219   1.015  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -2.328   4.159   0.267  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -1.395   3.734  -0.677  0.00  0.00    +0.046 A 
ATOM     24  N   LIG    1        0.405  -0.204  -1.946  0.00  0.00    -0.178 NA
ATOM     25  C   LIG    1        2.304  -0.912  -0.656  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   1  32
ATOM     26  C   LIG    1        5.087  -0.420   3.805  0.00  0.00    +0.152 C 
ATOM     27  N   LIG    1        4.856   0.421   2.641  0.00  0.00    -0.318 N 
ATOM     28  C   LIG    1        5.642   1.558   2.463  0.00  0.00    +0.251 A 
ATOM     29  O   LIG    1        6.558   1.909   3.201  0.00  0.00    -0.268 OA
ATOM     30  C   LIG    1        5.312   2.387   1.275  0.00  0.00    +0.071 A 
ATOM     31  C   LIG    1        4.327   2.020   0.446  0.00  0.00    +0.017 A 
ATOM     32  C   LIG    1        3.557   0.805   0.666  0.00  0.00    +0.017 A 
ATOM     33  C   LIG    1        3.840   0.074   1.763  0.00  0.00    +0.098 A 
ENDBRANCH   1  32
TORSDOF 1