REMARK  Name = BDB056541
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.159   2.378   0.640  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1        1.245   1.926   0.619  0.00  0.00    +0.147 HD
ATOM      3  H   LIG    1        2.221   3.368   0.822  0.00  0.00    +0.147 HD
ATOM      4  C   LIG    1        3.301   1.655   0.469  0.00  0.00    +0.317 C 
ATOM      5  N   LIG    1        3.078   0.280   0.246  0.00  0.00    -0.255 N 
ATOM      6  C   LIG    1        1.865  -0.401   0.181  0.00  0.00    +0.151 A 
ATOM      7  C   LIG    1        2.129  -1.747  -0.049  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1        1.033  -2.611  -0.139  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -0.241  -2.053   0.001  0.00  0.00    +0.044 A 
ATOM     10  C   LIG    1       -0.412  -0.682   0.213  0.00  0.00    +0.124 A 
ATOM     11  C   LIG    1        3.533  -1.899  -0.130  0.00  0.00    +0.030 A 
ATOM     12  N   LIG    1        0.639   0.158   0.319  0.00  0.00    -0.214 NA
ATOM     13  C   LIG    1        4.089  -0.655   0.050  0.00  0.00    +0.098 A 
ATOM     14  O   LIG    1        4.435   2.110   0.497  0.00  0.00    -0.249 OA
ENDROOT
BRANCH  10  15
ATOM     15  N   LIG    1       -1.674  -0.145   0.359  0.00  0.00    -0.315 N 
ATOM     16  C   LIG    1       -1.837   1.292   0.540  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1       -3.352   1.465   0.574  0.00  0.00    +0.020 C 
ATOM     18  C   LIG    1       -3.825   0.425  -0.428  0.00  0.00    +0.020 C 
ATOM     19  C   LIG    1       -2.877  -0.753  -0.199  0.00  0.00    +0.106 C 
ENDBRANCH  10  15
TORSDOF 1