REMARK  Name = BDB021190
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.987   0.548  -0.166  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        1.066   0.822   0.888  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1       -0.014   1.629   0.579  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.695   1.851   1.753  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.045   1.093   2.697  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.253   2.115  -0.718  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.616   1.891  -1.668  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.038   0.449   2.155  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        1.716   1.117  -1.361  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        6.677  -1.361  -0.182  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        5.225  -1.109  -0.033  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1        4.435  -2.034   0.518  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1        3.203  -1.478   0.509  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1        2.105  -2.275   1.007  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1        3.184  -0.218  -0.048  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1        4.494   0.035  -0.412  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   5  17
ATOM     17  C   LIG    1       -0.394   0.953   4.078  0.00  0.00    +0.121 C 
ATOM     18  N   LIG    1       -0.727   0.855   5.186  0.00  0.00    -0.189 NA
ENDBRANCH   5  17
BRANCH   6  19
ATOM     19  N   LIG    1       -1.386   2.837  -1.029  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.286   3.152  -1.993  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.735   2.303  -0.842  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.866   0.861  -1.264  0.00  0.00    -0.024 A 
ATOM     23  C   LIG    1       -3.392  -0.115  -0.421  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.972  -0.008   0.942  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -4.031  -1.490   1.309  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -4.071  -2.269   0.094  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -3.521  -1.433  -0.844  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -3.149  -1.844  -2.106  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1       -2.621  -0.888  -2.970  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -2.486   0.448  -2.557  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5