REMARK  Name = BDB012980
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.501   1.821   1.320  0.00  0.00    +0.126 C 
ATOM      2  C   LIG    1        0.860   1.178   1.026  0.00  0.00    +0.135 C 
ATOM      3  N   LIG    1        1.619   2.160   0.260  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1        2.748   1.944  -0.514  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        3.116   2.794  -1.327  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.827   3.357   0.039  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1       -0.253   3.316   1.108  0.00  0.00    +0.047 C 
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -2.917   0.660  -2.715  0.00  0.00    +0.068 C 
ATOM      9  C   LIG    1       -2.644   0.782  -1.262  0.00  0.00    +0.068 A 
ATOM     10  C   LIG    1       -3.443   0.348  -0.170  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1       -2.713   0.688   0.949  0.00  0.00    +0.117 A 
ATOM     12  N   LIG    1       -1.573   1.288   0.496  0.00  0.00    -0.266 N 
ATOM     13  N   LIG    1       -1.510   1.361  -0.844  0.00  0.00    -0.176 NA
BRANCH  10  14
ATOM     14  C   LIG    1       -4.742  -0.297  -0.124  0.00  0.00    -0.015 A 
ATOM     15  C   LIG    1       -5.807   0.206  -0.881  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -7.058  -0.414  -0.842  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -7.253  -1.542  -0.046  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -6.199  -2.049   0.712  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -4.948  -1.429   0.674  0.00  0.00    +0.008 A 
ENDBRANCH  10  14
ENDBRANCH   1  12
BRANCH   4  20
ATOM     20  C   LIG    1        3.501   0.720  -0.372  0.00  0.00    +0.121 A 
ATOM     21  N   LIG    1        4.419   0.369  -1.329  0.00  0.00    -0.272 N 
ATOM     22  H   LIG    1        4.642   0.894  -2.169  0.00  0.00    +0.189 HD
ATOM     23  N   LIG    1        5.056  -0.788  -1.093  0.00  0.00    -0.178 NA
ATOM     24  C   LIG    1        4.563  -1.192   0.082  0.00  0.00    +0.066 A 
ATOM     25  C   LIG    1        3.598  -0.280   0.576  0.00  0.00    +0.057 A 
BRANCH  24  26
ATOM     26  C   LIG    1        5.037  -2.463   0.729  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1        4.721  -3.690  -0.129  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1        6.529  -2.408   1.064  0.00  0.00    +0.014 C 
ENDBRANCH  24  26
ENDBRANCH   4  20
TORSDOF 4