REMARK  Name = BDB034833
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.207   0.048  -0.033  0.00  0.00    -0.280 N 
ATOM      2  H   LIG    1        0.836   0.078  -0.833  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.861  -0.043   1.189  0.00  0.00    +0.273 C 
ATOM      4  O   LIG    1        0.302  -0.098   2.281  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1   9
ATOM      5  N   LIG    1       -5.290   0.271  -1.125  0.00  0.00    -0.238 N 
ATOM      6  C   LIG    1       -3.865   0.174  -1.010  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -3.491   0.117   0.330  0.00  0.00    -0.022 A 
ATOM      8  C   LIG    1       -2.153   0.072   0.705  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -1.173   0.095  -0.292  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1       -1.563   0.184  -1.645  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -4.685   0.179   1.228  0.00  0.00    +0.057 C 
ATOM     12  C   LIG    1       -2.913   0.239  -2.011  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -5.853   0.008   0.240  0.00  0.00    +0.127 C 
BRANCH   5  15
ATOM     14  N   LIG    1       -6.271  -0.656  -3.227  0.00  0.00    -0.174 NA
ATOM     15  C   LIG    1       -5.812  -0.224  -2.255  0.00  0.00    +0.174 C 
ENDBRANCH   5  15
ENDBRANCH   1   9
BRANCH   3  16
ATOM     16  C   LIG    1        2.315  -0.066   1.017  0.00  0.00    +0.164 A 
ATOM     17  S   LIG    1        3.369  -0.173   2.357  0.00  0.00    -0.063 S 
ATOM     18  C   LIG    1        4.721  -0.140   1.291  0.00  0.00    +0.040 A 
ATOM     19  C   LIG    1        4.262  -0.049  -0.025  0.00  0.00    +0.079 A 
ATOM     20  C   LIG    1        5.207  -0.008  -1.071  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1        6.573  -0.058  -0.776  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        7.007  -0.148   0.542  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        6.091  -0.191   1.598  0.00  0.00    +0.017 A 
ATOM     24  N   LIG    1        2.884  -0.007  -0.174  0.00  0.00    -0.234 NA
ENDBRANCH   3  16
TORSDOF 3