REMARK  Name = BDB049740
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.580   0.981  -0.049  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1        0.927   1.916   0.096  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1        3.966  -0.042  -0.342  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1        2.866   0.717  -0.187  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1        1.660   0.124  -0.239  0.00  0.00    +0.221 A 
ATOM      6  N   LIG    1        1.500  -1.186  -0.454  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        2.609  -1.917  -0.635  0.00  0.00    +0.118 A 
ATOM      8  C   LIG    1        3.876  -1.393  -0.588  0.00  0.00    +0.063 A 
BRANCH   3   9
ATOM      9  N   LIG    1        5.179   0.651  -0.268  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1        4.984   1.650  -0.262  0.00  0.00    +0.155 HD
BRANCH   9  16
ATOM     11  C   LIG    1       10.095   0.123   0.274  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1        8.622  -0.044   0.269  0.00  0.00    +0.062 A 
ATOM     13  N   LIG    1        8.067  -1.156   0.767  0.00  0.00    -0.178 NA
ATOM     14  N   LIG    1        6.748  -0.950   0.617  0.00  0.00    -0.264 N 
ATOM     15  H   LIG    1        6.113  -1.639   1.001  0.00  0.00    +0.190 HD
ATOM     16  C   LIG    1        6.436   0.225  -0.013  0.00  0.00    +0.120 A 
ATOM     17  C   LIG    1        7.642   0.857  -0.209  0.00  0.00    +0.068 A 
ENDBRANCH   9  16
ENDBRANCH   3   9
ENDBRANCH   1   5
BRANCH   1  18
ATOM     18  C   LIG    1       -0.807   0.808  -0.025  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1       -1.447  -0.416  -0.215  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -2.846  -0.520  -0.177  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -3.661   0.598   0.053  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -3.019   1.828   0.245  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -1.620   1.927   0.206  0.00  0.00    +0.024 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -5.129   0.420   0.081  0.00  0.00    +0.109 A 
ATOM     25  S   LIG    1       -6.207   1.737   0.354  0.00  0.00    -0.067 S 
ATOM     26  C   LIG    1       -7.559   0.685   0.225  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1       -7.101  -0.608  -0.020  0.00  0.00    +0.079 A 
ATOM     28  C   LIG    1       -8.044  -1.646  -0.164  0.00  0.00    +0.029 A 
ATOM     29  C   LIG    1       -9.410  -1.365  -0.059  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -9.844  -0.066   0.185  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -8.928   0.981   0.331  0.00  0.00    +0.017 A 
ATOM     32  N   LIG    1       -5.726  -0.743  -0.099  0.00  0.00    -0.239 NA
ENDBRANCH  21  24
ENDBRANCH   1  18
TORSDOF 5