REMARK  Name = BDB003994
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.425  -1.263  -0.147  0.00  0.00    +0.021 C 
ATOM      2  C   LIG    1       -1.283  -0.383   0.369  0.00  0.00    +0.116 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.276  -0.383   1.888  0.00  0.00    +0.309 C 
ATOM      4  O   LIG    1       -1.957  -1.132   2.575  0.00  0.00    -0.251 OA
BRANCH   3   5
ATOM      5  O   LIG    1       -0.454   0.531   2.443  0.00  0.00    -0.480 OA
ATOM      6  H   LIG    1        0.115   1.015   1.788  0.00  0.00    +0.295 HD
ENDBRANCH   3   5
ENDBRANCH   2   3
BRANCH   2   7
ATOM      7  C   LIG    1        0.060  -0.894  -0.163  0.00  0.00    +0.157 C 
BRANCH   7   8
ATOM      8  N   LIG    1        1.023   0.174  -0.394  0.00  0.00    -0.271 N 
ATOM      9  N   LIG    1        1.121   1.198   0.485  0.00  0.00    -0.180 NA
ATOM     10  C   LIG    1        2.087   1.964  -0.035  0.00  0.00    +0.134 A 
ATOM     11  C   LIG    1        2.597   1.441  -1.237  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1        1.887   0.282  -1.444  0.00  0.00    +0.108 A 
ENDBRANCH   7   8
ENDBRANCH   2   7
TORSDOF 4