REMARK  Name = BDB003284
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.619  -0.955   0.623  0.00  0.00    -0.284 N 
ATOM      2  C   LIG    1        0.667  -0.563   0.204  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        1.827  -1.110   0.785  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        3.105  -0.678   0.381  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        3.261   0.269  -0.637  0.00  0.00    -0.015 A 
ATOM      6  C   LIG    1        2.114   0.779  -1.249  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        1.719  -2.148   1.870  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.407  -2.905   1.747  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        0.842   0.362  -0.839  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.750  -1.917   1.723  0.00  0.00    +0.113 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -3.979  -0.479  -0.546  0.00  0.00    +0.128 A 
ATOM     12  N   LIG    1       -2.802  -1.061  -0.234  0.00  0.00    -0.226 NA
ATOM     13  C   LIG    1       -1.851  -0.306   0.365  0.00  0.00    +0.134 A 
ATOM     14  C   LIG    1       -2.082   1.050   0.740  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -3.328   1.622   0.391  0.00  0.00    -0.012 A 
ATOM     16  C   LIG    1       -3.609   2.961   0.714  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1       -2.682   3.742   1.401  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -1.464   3.193   1.778  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -1.171   1.866   1.457  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1       -4.279   0.846  -0.270  0.00  0.00    +0.041 A 
BRANCH  11  24
ATOM     21  C   LIG    1       -7.331  -2.086  -1.269  0.00  0.00    +0.128 C 
ATOM     22  N   LIG    1       -6.303  -1.197  -0.789  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1       -6.462  -0.728   0.093  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1       -4.992  -1.356  -1.219  0.00  0.00    +0.262 C 
ATOM     25  O   LIG    1       -4.666  -2.167  -2.078  0.00  0.00    -0.269 OA
ENDBRANCH  11  24
ENDBRANCH   1  13
BRANCH   5  26
ATOM     26  C   LIG    1        4.576   0.719  -1.058  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        5.732  -0.034  -1.013  0.00  0.00    +0.116 A 
ATOM     28  N   LIG    1        6.726   0.755  -1.515  0.00  0.00    -0.274 N 
ATOM     29  C   LIG    1        8.115   0.404  -1.680  0.00  0.00    +0.172 C 
ATOM     30  N   LIG    1        6.306   1.978  -1.883  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        4.998   1.952  -1.610  0.00  0.00    +0.142 A 
ENDBRANCH   5  26
TORSDOF 3