REMARK  Name = BDB064014
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.936  -0.629  -0.115  0.00  0.00    +0.193 C 
ATOM      2  N   LIG    1        1.814  -1.627  -1.028  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1        0.999  -2.171  -1.250  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        3.046  -1.972  -1.483  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        3.342  -2.851  -2.265  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        3.929  -1.022  -0.760  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        5.252  -0.991  -0.964  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        3.166  -0.244   0.083  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        6.219  -0.091  -0.316  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        7.321   0.349  -1.070  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        8.274   1.183  -0.459  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        8.165   1.576   0.876  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        9.180   2.398   1.340  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1       10.038   2.621   0.371  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        7.067   1.116   1.626  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        9.701   1.878  -1.133  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        6.111   0.285   1.025  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1        0.898  -0.097   0.573  0.00  0.00    -0.271 N 
ATOM     19  H   LIG    1        1.142   0.386   1.430  0.00  0.00    +0.156 HD
BRANCH  18  23
ATOM     20  C   LIG    1       -3.226  -0.276   0.181  0.00  0.00    +0.140 A 
ATOM     21  N   LIG    1       -2.479  -0.628  -0.886  0.00  0.00    -0.235 NA
ATOM     22  C   LIG    1       -1.127  -0.551  -0.755  0.00  0.00    +0.156 A 
ATOM     23  C   LIG    1       -0.475  -0.166   0.409  0.00  0.00    +0.143 A 
ATOM     24  N   LIG    1       -1.207   0.194   1.481  0.00  0.00    -0.235 NA
ATOM     25  C   LIG    1       -2.561   0.119   1.345  0.00  0.00    +0.156 A 
BRANCH  20  30
ATOM     26  C   LIG    1       -8.636  -0.149   0.064  0.00  0.00    +0.105 C 
ATOM     27  N   LIG    1       -7.441   0.148  -0.721  0.00  0.00    -0.302 NA
ATOM     28  C   LIG    1       -6.685  -1.091  -1.012  0.00  0.00    +0.103 C 
ATOM     29  C   LIG    1       -5.162  -0.881  -1.162  0.00  0.00    +0.122 C 
ATOM     30  N   LIG    1       -4.608  -0.356   0.097  0.00  0.00    -0.312 N 
ATOM     31  C   LIG    1       -5.442   0.624   0.814  0.00  0.00    +0.122 C 
ATOM     32  C   LIG    1       -6.590   1.165  -0.072  0.00  0.00    +0.103 C 
ENDBRANCH  20  30
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 4