REMARK  Name = BDB028386
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.471   3.818   1.105  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -0.320   3.277   0.418  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -0.025   1.948   0.194  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        1.206   1.959  -0.451  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        1.541   3.325  -0.570  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1        0.613   4.129  -0.052  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.953   0.790  -0.877  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        3.298   0.651  -0.502  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        4.032  -0.472  -0.906  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        3.415  -1.456  -1.674  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        4.183  -2.649  -2.066  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1        5.482  -2.705  -1.622  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        6.026  -3.522  -1.881  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        6.120  -1.756  -0.887  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1        3.682  -3.538  -2.746  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        2.078  -1.323  -2.061  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        5.458  -0.688  -0.548  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1        1.352  -0.198  -1.666  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1        6.207   0.368   0.260  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1        5.837   0.244   1.671  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1        6.089  -0.696   1.985  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1        6.419   0.877   2.220  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4   7
BRANCH   3  23
ATOM     23  C   LIG    1       -0.872   0.841   0.634  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -2.149   0.661   0.089  0.00  0.00    +0.055 A 
ATOM     25  C   LIG    1       -2.957  -0.402   0.503  0.00  0.00    +0.122 A 
ATOM     26  C   LIG    1       -2.487  -1.295   1.463  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -1.211  -1.126   2.007  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -0.407  -0.063   1.594  0.00  0.00    +0.010 A 
BRANCH  25  29
ATOM     29  O   LIG    1       -4.186  -0.466  -0.106  0.00  0.00    -0.489 OA
BRANCH  29  30
ATOM     30  C   LIG    1       -5.104  -1.520   0.263  0.00  0.00    +0.173 C 
ATOM     31  C   LIG    1       -6.477  -1.457  -0.456  0.00  0.00    +0.044 C 
ATOM     32  C   LIG    1       -7.021  -0.700   0.768  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1       -5.887  -1.337   1.590  0.00  0.00    +0.044 C 
ENDBRANCH  29  30
ENDBRANCH  25  29
ENDBRANCH   3  23
TORSDOF 6