REMARK  Name = BDB028389
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.410  -0.777   0.097  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        1.548  -0.111   0.577  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        2.561   0.285  -0.307  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        2.441  -0.012  -1.663  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        3.524   0.369  -2.585  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        4.609   0.988  -2.017  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        5.368   1.258  -2.636  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        4.752   1.310  -0.704  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        3.453   0.132  -3.785  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        1.313  -0.682  -2.149  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        3.790   1.004   0.119  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        0.300  -1.063  -1.269  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  16
ATOM     13  C   LIG    1       -3.960  -1.343   2.422  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1       -2.572  -1.421   2.025  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1       -1.982  -0.852   0.915  0.00  0.00    +0.076 A 
ATOM     16  C   LIG    1       -0.634  -1.175   1.022  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1       -0.536  -1.938   2.206  0.00  0.00    +0.143 A 
ATOM     18  N   LIG    1       -1.712  -2.096   2.811  0.00  0.00    -0.179 NA
BRANCH  15  19
ATOM     19  C   LIG    1       -2.700  -0.053  -0.076  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1       -2.412   1.308  -0.223  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1       -3.085   2.066  -1.181  0.00  0.00    +0.043 A 
ATOM     22 CL   LIG    1       -2.721   3.739  -1.351  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1       -4.047   1.482  -2.001  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1       -4.330   0.127  -1.856  0.00  0.00    +0.043 A 
ATOM     25 CL   LIG    1       -5.514  -0.609  -2.865  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1       -3.663  -0.643  -0.903  0.00  0.00    +0.030 A 
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH  11  27
ATOM     27  C   LIG    1        3.981   1.395   1.583  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  N   LIG    1        4.718   0.336   2.277  0.00  0.00    -0.325 NA
ATOM     29  H   LIG    1        5.637   0.252   1.836  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1        4.265  -0.565   2.139  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH  11  27
TORSDOF 4