REMARK  Name = BDB027879
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.396   0.492   0.625  0.00  0.00    +0.166 A 
ATOM      2  N   LIG    1       -3.161   1.592   0.576  0.00  0.00    -0.226 NA
ATOM      3  C   LIG    1       -2.621   2.679   0.014  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -1.327   2.704  -0.504  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.852   3.889  -1.116  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1       -1.673   5.000  -1.165  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -2.916   5.015  -0.655  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1       -0.596   1.505  -0.380  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1       -3.347   3.857  -0.090  0.00  0.00    +0.139 A 
ATOM     10  N   LIG    1       -1.132   0.409   0.182  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -0.943  -2.111   2.029  0.00  0.00    +0.068 C 
ATOM     12  C   LIG    1       -2.384  -1.843   1.803  0.00  0.00    +0.071 A 
ATOM     13  C   LIG    1       -2.993  -0.705   1.200  0.00  0.00    +0.062 A 
ATOM     14  C   LIG    1       -4.354  -0.976   1.267  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1       -5.552  -0.225   0.818  0.00  0.00    +0.066 C 
ATOM     16  N   LIG    1       -4.463  -2.193   1.877  0.00  0.00    -0.281 N 
ATOM     17  H   LIG    1       -5.310  -2.709   2.094  0.00  0.00    +0.189 HD
ATOM     18  N   LIG    1       -3.290  -2.742   2.211  0.00  0.00    -0.178 NA
ENDBRANCH   1  13
BRANCH   8  19
ATOM     19  N   LIG    1        0.711   1.469  -0.888  0.00  0.00    -0.323 N 
ATOM     20  H   LIG    1        1.242   2.237  -0.484  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.539   0.240  -0.962  0.00  0.00    +0.029 C 
ATOM     22  C   LIG    1        2.756   0.649  -1.827  0.00  0.00    +0.031 C 
ATOM     23  C   LIG    1        0.804  -0.878  -1.722  0.00  0.00    +0.031 C 
BRANCH  21  24
ATOM     24  C   LIG    1        2.000  -0.162   0.466  0.00  0.00    +0.040 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.683  -1.531   0.629  0.00  0.00    +0.086 C 
BRANCH  25  26
ATOM     26  N   LIG    1        3.991  -1.663  -0.027  0.00  0.00    -0.308 NA
ATOM     27  C   LIG    1        5.027  -0.884   0.656  0.00  0.00    +0.104 C 
ATOM     28  C   LIG    1        4.391  -3.073  -0.073  0.00  0.00    +0.104 C 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   8  19
TORSDOF 6