REMARK  Name = BDB003798
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.119   1.671   1.383  0.00  0.00    +0.100 A 
ATOM      2  N   LIG    1        0.903   1.423   2.262  0.00  0.00    -0.133 NA
ATOM      3  N   LIG    1        1.958   1.017   1.569  0.00  0.00    -0.065 NA
ATOM      4  N   LIG    1        1.605   0.993   0.268  0.00  0.00    -0.240 N 
ATOM      5  C   LIG    1        0.321   1.421   0.100  0.00  0.00    +0.136 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        2.567   0.622  -0.771  0.00  0.00    +0.194 C 
ATOM      7  C   LIG    1        2.640  -0.909  -0.863  0.00  0.00    +0.238 C 
ATOM      8  O   LIG    1        1.687  -1.636  -0.568  0.00  0.00    -0.273 OA
ATOM      9  N   LIG    1        3.744  -1.529  -1.371  0.00  0.00    -0.314 N 
ATOM     10  H   LIG    1        3.666  -2.541  -1.383  0.00  0.00    +0.149 HD
ATOM     11  C   LIG    1        4.949  -0.923  -1.876  0.00  0.00    +0.104 C 
ATOM     12  C   LIG    1        5.777  -0.274  -0.775  0.00  0.00    +0.019 C 
ATOM     13  C   LIG    1        4.995   0.687   0.123  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        3.877   1.424  -0.611  0.00  0.00    +0.036 C 
ENDBRANCH   4   6
BRANCH   1  15
ATOM     15  C   LIG    1       -1.451   2.118   1.859  0.00  0.00    +0.166 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -3.106   0.731   0.702  0.00  0.00    +0.401 C 
ATOM     17  N   LIG    1       -2.366   1.004   1.808  0.00  0.00    -0.275 N 
ATOM     18  H   LIG    1       -2.219   0.225   2.434  0.00  0.00    +0.152 HD
ATOM     19  O   LIG    1       -3.217   1.465  -0.267  0.00  0.00    -0.226 OA
BRANCH  16  20
ATOM     20  O   LIG    1       -3.674  -0.487   0.852  0.00  0.00    -0.445 OA
BRANCH  20  22
ATOM     21  C   LIG    1       -5.740  -0.213  -0.463  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1       -4.490  -1.060  -0.201  0.00  0.00    +0.107 C 
ATOM     23  C   LIG    1       -3.672  -1.286  -1.478  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1       -4.930  -2.427   0.347  0.00  0.00    +0.055 C 
ENDBRANCH  20  22
ENDBRANCH  16  20
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 5