REMARK  Name = BDB049911
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.542  -0.920   0.474  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        0.806   0.340  -0.007  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        0.277   1.177   0.212  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        1.882   0.268  -0.854  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        2.239  -1.073  -0.833  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        3.333  -1.503  -1.597  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        4.039  -0.559  -2.354  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        3.656   0.787  -2.362  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        2.551   1.234  -1.616  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        1.405  -1.793  -0.013  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        2.086   2.643  -1.583  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        1.285   3.032  -0.741  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        2.548   3.492  -2.550  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        2.121   4.410  -2.572  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        2.979   3.164  -3.401  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
BRANCH   1  16
ATOM     16  C   LIG    1       -0.592  -1.164   1.448  0.00  0.00    +0.120 C 
ATOM     17  C   LIG    1       -0.900  -2.664   1.570  0.00  0.00    +0.032 C 
BRANCH  16  18
ATOM     18  N   LIG    1       -1.762  -0.305   1.112  0.00  0.00    -0.293 NA
BRANCH  18  20
ATOM     19  C   LIG    1       -2.078   0.727   3.372  0.00  0.00    +0.020 C 
ATOM     20  C   LIG    1       -2.679  -0.115   2.250  0.00  0.00    +0.082 C 
ENDBRANCH  18  20
BRANCH  18  21
ATOM     21  C   LIG    1       -2.485  -0.790  -0.081  0.00  0.00    +0.082 C 
ATOM     22  C   LIG    1       -3.247   0.332  -0.780  0.00  0.00    +0.020 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 5