REMARK  Name = BDB045358
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.838   2.974  -0.536  0.00  0.00    -0.315 N 
ATOM      2  C   LIG    1       -1.089   1.901  -0.143  0.00  0.00    +0.167 A 
ATOM      3  C   LIG    1       -2.003   0.905   0.159  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1       -1.462  -0.314   0.605  0.00  0.00    +0.156 A 
ATOM      5  N   LIG    1       -0.104  -0.388   0.729  0.00  0.00    -0.197 NA
ATOM      6  C   LIG    1        0.679   0.657   0.397  0.00  0.00    +0.219 A 
ATOM      7  N   LIG    1       -3.291   1.374  -0.038  0.00  0.00    -0.231 NA
ATOM      8  N   LIG    1        0.246   1.839  -0.061  0.00  0.00    -0.195 NA
ATOM      9  C   LIG    1       -3.153   2.615  -0.452  0.00  0.00    +0.201 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -0.968   4.318  -2.407  0.00  0.00    +0.027 C 
ATOM     11  C   LIG    1       -1.331   4.269  -0.933  0.00  0.00    +0.121 C 
ENDBRANCH   1  11
BRANCH   6  12
ATOM     12  N   LIG    1        2.057   0.549   0.526  0.00  0.00    -0.309 N 
ATOM     13  H   LIG    1        2.441   1.293  -0.060  0.00  0.00    +0.149 HD
BRANCH  12  14
ATOM     14  C   LIG    1        2.631  -0.753   0.172  0.00  0.00    +0.090 C 
ATOM     15  C   LIG    1        3.999  -0.520  -0.544  0.00  0.00    +0.071 C 
ATOM     16  C   LIG    1        5.090  -0.039   0.423  0.00  0.00    +0.020 C 
ATOM     17  C   LIG    1        5.227  -0.966   1.627  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1        3.899  -1.136   2.355  0.00  0.00    +0.002 C 
ATOM     19  C   LIG    1        2.803  -1.634   1.416  0.00  0.00    +0.024 C 
BRANCH  15  20
ATOM     20  N   LIG    1        3.869   0.467  -1.635  0.00  0.00    -0.326 NA
ATOM     21  H   LIG    1        3.179   0.135  -2.310  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1        4.754   0.534  -2.137  0.00  0.00    +0.119 HD
ENDBRANCH  15  20
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   4  23
ATOM     23  N   LIG    1       -2.155  -1.463   1.006  0.00  0.00    -0.298 N 
ATOM     24  H   LIG    1       -1.501  -2.112   1.427  0.00  0.00    +0.154 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.410  -2.005   0.698  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1       -3.922  -3.011   1.533  0.00  0.00    +0.043 A 
ATOM     27  C   LIG    1       -5.182  -3.564   1.301  0.00  0.00    +0.043 A 
ATOM     28 CL   LIG    1       -5.776  -4.801   2.341  0.00  0.00    -0.083 Cl
ATOM     29  C   LIG    1       -5.964  -3.123   0.239  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -5.477  -2.119  -0.592  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -4.213  -1.564  -0.358  0.00  0.00    +0.023 A 
ENDBRANCH  23  25
ENDBRANCH   4  23
TORSDOF 6