REMARK  Name = BDB049269
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.032   0.177   0.280  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1        0.716  -0.959   0.716  0.00  0.00    +0.170 A 
ATOM      3  N   LIG    1        2.101  -0.918   0.616  0.00  0.00    -0.268 N 
ATOM      4  C   LIG    1        2.503  -2.151   1.068  0.00  0.00    +0.231 A 
ATOM      5  N   LIG    1        1.471  -2.865   1.452  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.860   0.184   0.129  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1        2.130   1.255  -0.288  0.00  0.00    +0.091 A 
ATOM      8  N   LIG    1        0.345  -2.115   1.230  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.668   1.234  -0.191  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -4.332   0.444   0.506  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1       -3.580   0.010   1.605  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -2.187  -0.075   1.525  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -1.511   0.280   0.349  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -2.267   0.707  -0.753  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -3.659   0.795  -0.672  0.00  0.00    +0.005 A 
BRANCH  10  16
ATOM     16  C   LIG    1       -5.841   0.547   0.594  0.00  0.00    +0.119 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -7.968   0.146  -0.457  0.00  0.00    +0.104 C 
ATOM     18  N   LIG    1       -6.545  -0.201  -0.463  0.00  0.00    -0.304 NA
ATOM     19  C   LIG    1       -6.386  -1.647  -0.290  0.00  0.00    +0.104 C 
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1        4.252   0.031   0.127  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1        4.602  -0.639   0.810  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        5.287   1.009  -0.198  0.00  0.00    +0.145 C 
BRANCH  22  23
ATOM     23  C   LIG    1        6.673   0.449  -0.036  0.00  0.00    +0.007 A 
ATOM     24  S   LIG    1        7.416   0.422   1.509  0.00  0.00    -0.100 S 
ATOM     25  C   LIG    1        8.828  -0.313   0.886  0.00  0.00    +0.045 A 
ATOM     26  C   LIG    1        8.738  -0.542  -0.468  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        7.491  -0.105  -1.002  0.00  0.00    +0.013 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
BRANCH   7  28
ATOM     28  C   LIG    1        2.704   2.447  -0.821  0.00  0.00    +0.103 C 
ATOM     29  N   LIG    1        3.163   3.422  -1.251  0.00  0.00    -0.191 NA
ENDBRANCH   7  28
TORSDOF 7