REMARK  Name = BDB049917
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.365  -0.396  -0.368  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1        1.047   0.064  -0.268  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        0.640   1.290  -0.786  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1       -0.695   1.506  -0.545  0.00  0.00    -0.231 NA
ATOM      5  C   LIG    1       -1.119   0.418   0.060  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        1.573   2.102  -1.448  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        2.891   1.647  -1.587  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1       -0.103  -0.477   0.252  0.00  0.00    -0.340 N 
ATOM      9  H   LIG    1       -0.189  -1.388   0.680  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1        3.278   0.413  -1.060  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        2.223  -2.064   1.382  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        1.902  -1.340   2.014  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        2.684  -2.852   1.825  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        2.805  -1.685   0.201  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        3.679  -2.361  -0.324  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   5  16
ATOM     16  C   LIG    1       -2.602   0.217   0.532  0.00  0.00    +0.075 C 
ATOM     17  C   LIG    1       -3.175  -1.174   0.603  0.00  0.00    +0.032 C 
ATOM     18  C   LIG    1       -3.586  -0.254  -0.508  0.00  0.00    +0.032 C 
BRANCH  16  19
ATOM     19  N   LIG    1       -3.075   1.214   1.500  0.00  0.00    -0.319 NA
ATOM     20  H   LIG    1       -2.394   1.312   2.251  0.00  0.00    +0.119 HD
ATOM     21  H   LIG    1       -3.060   2.124   1.032  0.00  0.00    +0.119 HD
ENDBRANCH  16  19
ENDBRANCH   5  16
TORSDOF 3