REMARK  Name = BDB049905
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.315  -0.193  -0.139  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1       -0.083  -0.717   0.167  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        0.108  -1.672   0.437  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        0.849   0.287   0.079  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        0.106   1.414  -0.251  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        0.750   2.655  -0.373  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        2.130   2.729  -0.138  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        2.858   1.584   0.193  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        2.233   0.332   0.287  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1       -1.220   1.097  -0.408  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        3.028  -0.868   0.614  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        4.008  -0.818   1.342  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        2.643  -2.038   0.013  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        3.322  -2.785   0.116  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        2.194  -1.985  -0.894  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
BRANCH   1  17
ATOM     16  C   LIG    1       -3.157  -1.131   1.255  0.00  0.00    +0.032 C 
ATOM     17  C   LIG    1       -2.563  -1.028  -0.146  0.00  0.00    +0.114 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -3.556  -0.443  -1.053  0.00  0.00    -0.321 NA
ATOM     19  H   LIG    1       -3.109  -0.310  -1.961  0.00  0.00    +0.119 HD
ATOM     20  H   LIG    1       -3.717   0.517  -0.733  0.00  0.00    +0.119 HD
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 3