REMARK  Name = BDB064299
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.228  -0.384  -0.867  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.167  -1.529  -1.466  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -1.090  -1.768  -1.779  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.926  -2.290  -1.722  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        0.986  -3.370  -2.275  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        2.028  -1.461  -1.165  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        3.307  -1.856  -1.215  0.00  0.00    +0.042 C 
ATOM      8  N   LIG    1        1.507  -0.290  -0.657  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.472  -1.111  -0.716  0.00  0.00    -0.004 A 
ATOM     10  C   LIG    1        4.429  -0.305   0.424  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        5.620   0.322   0.816  0.00  0.00    +0.058 A 
ATOM     12  C   LIG    1        6.799   0.128   0.093  0.00  0.00    +0.167 A 
ATOM     13  N   LIG    1        7.910   0.792   0.570  0.00  0.00    -0.228 NA
ATOM     14  C   LIG    1        7.575   1.480   1.636  0.00  0.00    +0.158 A 
ATOM     15  N   LIG    1        6.866  -0.665  -1.005  0.00  0.00    -0.235 NA
ATOM     16  S   LIG    1        5.939   1.377   2.135  0.00  0.00    -0.074 S 
ATOM     17  C   LIG    1        5.701  -1.252  -1.360  0.00  0.00    +0.121 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -0.652   0.588  -0.517  0.00  0.00    -0.312 N 
ATOM     19  H   LIG    1       -0.191   1.345  -0.017  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.036   0.352  -0.101  0.00  0.00    +0.099 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.062  -0.218   1.337  0.00  0.00    +0.181 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -3.213  -2.295   1.240  0.00  0.00    +0.194 C 
ATOM     23  O   LIG    1       -3.272  -0.925   1.616  0.00  0.00    -0.381 OA
ENDBRANCH  21  23
ENDBRANCH  20  21
BRANCH  20  24
ATOM     24  C   LIG    1       -2.796   1.692  -0.226  0.00  0.00    +0.027 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.305   1.651   0.081  0.00  0.00    -0.015 C 
ATOM     26  C   LIG    1       -4.886   3.067  -0.006  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1       -5.070   0.727  -0.867  0.00  0.00    +0.007 C 
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 7