REMARK  Name = BDB057222
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.015  -0.717  -2.288  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1       -1.007  -0.471  -1.356  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -1.770  -1.518  -0.816  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1       -1.490  -2.829  -1.222  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -0.469  -3.087  -2.141  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.282  -2.037  -2.667  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.815  -1.210   0.152  0.00  0.00    +0.089 A 
ATOM      8  N   LIG    1       -2.958   0.052   0.727  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1       -3.989  -0.070   1.518  0.00  0.00    +0.110 A 
ATOM     10  C   LIG    1       -4.745   0.790   2.447  0.00  0.00    +0.076 C 
ATOM     11  C   LIG    1       -5.567  -0.259   3.240  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1       -5.649  -1.506   2.338  0.00  0.00    +0.123 C 
ATOM     13  N   LIG    1       -4.505  -1.326   1.474  0.00  0.00    -0.334 N 
ATOM     14  C   LIG    1       -3.788  -2.083   0.624  0.00  0.00    +0.115 A 
ENDBRANCH   3   7
BRANCH   1  15
ATOM     15  C   LIG    1        0.845   0.418  -2.821  0.00  0.00    +0.139 C 
BRANCH  15  17
ATOM     16  C   LIG    1        2.943   1.568  -2.297  0.00  0.00    +0.246 C 
ATOM     17  N   LIG    1        1.926   0.722  -1.913  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1        1.740   0.587  -0.929  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1        3.040   2.032  -3.428  0.00  0.00    -0.270 OA
BRANCH  16  23
ATOM     20  C   LIG    1        5.434   0.766   2.035  0.00  0.00    +0.045 C 
ATOM     21  C   LIG    1        5.123   1.584   0.821  0.00  0.00    -0.032 A 
ATOM     22  C   LIG    1        4.173   1.161  -0.116  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1        3.933   1.933  -1.256  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1        4.685   3.088  -1.428  0.00  0.00    +0.123 A 
ATOM     25  N   LIG    1        5.620   3.522  -0.546  0.00  0.00    -0.262 NA
ATOM     26  C   LIG    1        5.817   2.759   0.552  0.00  0.00    +0.114 A 
ENDBRANCH  16  23
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 4