REMARK  Name = BDB002418
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.632  -0.899   0.795  0.00  0.00    -0.278 N 
ATOM      2  H   LIG    1        0.888  -0.290   0.473  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        1.417  -1.608   1.955  0.00  0.00    +0.228 C 
ATOM      4  O   LIG    1        2.060  -2.603   2.301  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1        3.813  -0.818  -3.859  0.00  0.00    +0.052 C 
ATOM      6  C   LIG    1        3.586  -1.101  -2.410  0.00  0.00    -0.007 A 
ATOM      7  C   LIG    1        4.357  -1.856  -1.538  0.00  0.00    -0.021 A 
ATOM      8  C   LIG    1        5.634  -2.552  -1.906  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1        3.788  -1.872  -0.201  0.00  0.00    +0.083 A 
ATOM     10  C   LIG    1        2.601  -1.176  -0.147  0.00  0.00    +0.090 A 
ATOM     11  S   LIG    1        2.224  -0.427  -1.633  0.00  0.00    -0.077 S 
BRANCH   9  12
ATOM     12  C   LIG    1        4.458  -2.497   0.912  0.00  0.00    +0.102 C 
ATOM     13  N   LIG    1        5.114  -2.962   1.752  0.00  0.00    -0.191 NA
ENDBRANCH   9  12
ENDBRANCH   1  10
BRANCH   3  14
ATOM     14  C   LIG    1        0.276  -1.126   2.848  0.00  0.00    +0.173 C 
BRANCH  14  15
ATOM     15  S   LIG    1       -0.543   0.424   2.357  0.00  0.00    -0.075 S 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.610  -0.140   1.124  0.00  0.00    +0.210 A 
ATOM     17  N   LIG    1       -2.757   0.487   0.725  0.00  0.00    -0.217 N 
ATOM     18  N   LIG    1       -3.274  -0.184  -0.326  0.00  0.00    -0.043 NA
ATOM     19  N   LIG    1       -2.457  -1.209  -0.528  0.00  0.00    -0.022 NA
ATOM     20  N   LIG    1       -1.412  -1.190   0.362  0.00  0.00    -0.101 NA
BRANCH  17  21
ATOM     21  C   LIG    1       -3.381   1.696   1.222  0.00  0.00    +0.112 C 
ATOM     22  C   LIG    1       -2.970   2.931   0.398  0.00  0.00    +0.027 C 
ATOM     23  C   LIG    1       -4.263   3.668   0.070  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -5.306   2.561   0.017  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -4.921   1.671   1.193  0.00  0.00    +0.027 C 
ENDBRANCH  17  21
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   3  14
TORSDOF 6