REMARK  Name = BDB051733
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.366  -0.174  -2.650  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -2.463  -0.082  -1.715  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1       -2.416  -0.205  -0.359  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -1.294  -0.448   0.527  0.00  0.00    +0.097 A 
ATOM      5  C   LIG    1       -1.585  -0.744   1.851  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -3.005  -0.916   2.336  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1       -4.063  -0.115   1.532  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -0.482  -0.958   2.635  0.00  0.00    +0.120 A 
ATOM      9  N   LIG    1        0.780  -0.862   2.175  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1        0.947  -0.561   0.876  0.00  0.00    +0.216 A 
ATOM     11  N   LIG    1       -0.057  -0.342   0.020  0.00  0.00    -0.213 NA
ATOM     12  C   LIG    1       -3.717  -0.065   0.083  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -4.495   0.155  -1.079  0.00  0.00    +0.151 A 
ATOM     14  N   LIG    1       -3.716   0.137  -2.184  0.00  0.00    -0.166 NA
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1       -5.944   0.388  -1.162  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1       -6.693   0.433  -0.191  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1       -6.409   0.558  -2.436  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1       -7.385   0.748  -2.596  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -5.740   0.534  -3.198  0.00  0.00    +0.145 HD
ENDBRANCH  13  15
BRANCH  10  20
ATOM     20  N   LIG    1        2.220  -0.459   0.340  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1        2.140   0.070  -0.519  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.219   0.033   1.266  0.00  0.00    +0.139 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.496   0.314   0.508  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        4.895   1.631   0.236  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        6.070   1.881  -0.475  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.854   0.821  -0.926  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.464  -0.492  -0.669  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.290  -0.745   0.042  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  10  20
TORSDOF 4