REMARK  Name = BDB028340
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.390  -2.338  -1.412  0.00  0.00    +0.172 C 
ATOM      2  N   LIG    1        1.972  -2.070  -1.494  0.00  0.00    -0.271 N 
ATOM      3  C   LIG    1        1.102  -1.766  -0.470  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -0.139  -1.635  -1.076  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        0.103  -1.840  -2.449  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1        1.383  -2.099  -2.704  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.376  -1.298  -0.404  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -2.047  -0.111  -0.738  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -3.249   0.223  -0.101  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -3.764  -0.626   0.877  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -5.008  -0.256   1.572  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -5.566   0.945   1.209  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -6.424   1.219   1.679  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -5.100   1.790   0.252  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -5.501  -0.982   2.427  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -3.104  -1.815   1.210  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -4.018   1.461  -0.392  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -1.913  -2.151   0.565  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -3.531   2.429  -1.469  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.682   3.453  -0.855  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -3.259   3.986  -0.199  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -1.954   3.023  -0.289  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4   7
BRANCH   3  23
ATOM     23  C   LIG    1        1.525  -1.613   0.967  0.00  0.00    +0.078 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.558  -0.140   1.433  0.00  0.00    +0.127 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.732   0.616   0.821  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        4.042   0.479   1.315  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        5.103   1.160   0.716  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.874   1.980  -0.387  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        3.584   2.119  -0.893  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        2.520   1.443  -0.295  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
BRANCH  24  31
ATOM     31  C   LIG    1        1.564  -0.093   2.912  0.00  0.00    +0.071 C 
ATOM     32  N   LIG    1        1.563  -0.083   4.073  0.00  0.00    -0.196 NA
ENDBRANCH  24  31
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7