REMARK  Name = BDB000941
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.369   0.093   0.435  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        0.652   0.598  -0.334  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        0.597   1.403  -0.947  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        1.750  -0.211  -0.183  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        1.326  -1.200   0.692  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        2.216  -2.220   1.058  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        3.507  -2.213   0.516  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        3.911  -1.204  -0.365  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.039  -0.163  -0.730  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        0.022  -0.996   1.072  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -2.426  -0.304  -1.618  0.00  0.00    +0.105 C 
ATOM     12  N   LIG    1       -2.390   0.931  -0.822  0.00  0.00    -0.296 NA
ATOM     13  C   LIG    1       -1.703   0.767   0.486  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1       -2.726   0.083   1.390  0.00  0.00    +0.028 C 
ATOM     15  C   LIG    1       -4.076   0.535   0.844  0.00  0.00    +0.017 C 
ATOM     16  C   LIG    1       -3.757   1.315  -0.427  0.00  0.00    +0.085 C 
ENDBRANCH   1  13
BRANCH   9  17
ATOM     17  C   LIG    1        3.401   0.944  -1.650  0.00  0.00    +0.244 C 
ATOM     18  O   LIG    1        2.548   1.702  -2.099  0.00  0.00    -0.270 OA
ATOM     19  N   LIG    1        4.721   1.123  -1.954  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1        5.468   0.705  -1.422  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1        4.943   1.953  -2.490  0.00  0.00    +0.145 HD
ENDBRANCH   9  17
TORSDOF 2