REMARK  Name = BDB027681
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.122  -0.708  -1.270  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.733  -1.798  -1.913  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.980  -2.173  -1.411  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        2.588  -3.253  -2.034  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        2.087  -3.962  -3.079  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        0.893  -3.564  -3.550  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.576  -1.544  -0.390  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.924  -0.503   0.149  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1        0.186  -2.506  -3.011  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.727  -0.059  -0.266  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.560   0.194   1.281  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        1.869   1.158   2.030  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        2.503   1.785   3.090  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        3.773   1.529   3.461  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        4.434   0.601   2.740  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        3.882  -0.079   1.666  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.146  -0.286  -1.704  0.00  0.00    -0.319 N 
ATOM     18  H   LIG    1       -1.778  -1.079  -1.694  0.00  0.00    +0.148 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -3.154   1.050  -1.882  0.00  0.00    +0.036 C 
ATOM     20  C   LIG    1       -1.791   0.927  -1.152  0.00  0.00    +0.053 C 
ATOM     21  C   LIG    1       -0.960   2.164  -1.567  0.00  0.00    +0.036 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -2.104   0.821   0.351  0.00  0.00    -0.025 A 
ATOM     23  C   LIG    1       -2.537  -0.393   0.922  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -2.843  -0.489   2.283  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -2.738   0.628   3.103  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -2.332   1.843   2.562  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -2.022   1.939   1.202  0.00  0.00    +0.006 A 
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 4