REMARK  Name = BDB037926
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.386  -0.152   1.922  0.00  0.00    +0.118 A 
ATOM      2  N   LIG    1       -2.350   0.833   1.996  0.00  0.00    -0.339 N 
ATOM      3  C   LIG    1       -3.664   0.644   2.580  0.00  0.00    +0.149 C 
ATOM      4  C   LIG    1       -1.884   2.017   1.463  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -0.565   1.792   1.062  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        0.176   2.883   0.550  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -0.427   4.136   0.411  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.750   4.325   0.790  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -2.497   3.275   1.330  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -0.258   0.417   1.332  0.00  0.00    +0.075 A 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1        1.009  -0.281   1.132  0.00  0.00    +0.249 C 
ATOM     12  N   LIG    1        1.639  -0.071  -0.082  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        1.023   0.119  -1.393  0.00  0.00    +0.126 C 
ATOM     14  C   LIG    1        2.363  -0.353  -1.993  0.00  0.00    +0.087 C 
ATOM     15  C   LIG    1        2.289  -1.341  -3.193  0.00  0.00    +0.229 C 
ATOM     16  O   LIG    1        1.630  -2.365  -3.307  0.00  0.00    -0.275 OA
ATOM     17  N   LIG    1        3.105  -0.860  -4.169  0.00  0.00    -0.256 N 
ATOM     18  H   LIG    1        3.220  -1.317  -5.060  0.00  0.00    +0.157 HD
ATOM     19  C   LIG    1        3.710   0.325  -3.869  0.00  0.00    +0.220 C 
ATOM     20  O   LIG    1        4.449   0.945  -4.614  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1        3.310   0.751  -2.475  0.00  0.00    +0.115 C 
ATOM     22  C   LIG    1        2.684  -0.948  -0.609  0.00  0.00    +0.126 C 
ATOM     23  O   LIG    1        1.485  -1.031   1.981  0.00  0.00    -0.270 OA
ENDBRANCH  10  11
BRANCH   1  26
ATOM     24  C   LIG    1       -1.304  -2.521   0.178  0.00  0.00    +0.132 C 
ATOM     25  N   LIG    1       -1.315  -2.575   1.630  0.00  0.00    -0.302 N 
ATOM     26  C   LIG    1       -1.559  -1.488   2.467  0.00  0.00    +0.263 C 
ATOM     27  O   LIG    1       -1.951  -1.645   3.623  0.00  0.00    -0.268 OA
ATOM     28  C   LIG    1       -1.262  -3.901   2.219  0.00  0.00    +0.132 C 
ENDBRANCH   1  26
TORSDOF 2