REMARK  Name = BDB012631
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.744  -1.505  -0.279  0.00  0.00    -0.333 N 
ATOM      2  C   LIG    1       -0.437  -0.931   0.111  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1       -1.426  -1.675  -0.506  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1       -0.853  -2.676  -1.264  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.443  -2.550  -1.104  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -2.865  -1.462  -0.383  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1       -3.647  -2.561  -0.515  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1       -4.979  -2.398  -0.402  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1       -5.584  -1.179  -0.159  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -4.779  -0.045  -0.029  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -3.393  -0.196  -0.142  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1       -5.397   1.245   0.217  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -6.738   1.412   0.463  0.00  0.00    -0.130 NA
ATOM     14  N   LIG    1       -6.974   2.704   0.638  0.00  0.00    -0.068 NA
ATOM     15  N   LIG    1       -5.807   3.346   0.502  0.00  0.00    -0.264 N 
ATOM     16  H   LIG    1       -5.792   4.355   0.599  0.00  0.00    +0.190 HD
ATOM     17  C   LIG    1       -4.787   2.479   0.240  0.00  0.00    +0.135 A 
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  19
ATOM     18  C   LIG    1        2.291  -1.232   1.619  0.00  0.00    +0.031 C 
ATOM     19  C   LIG    1        2.093  -1.093   0.106  0.00  0.00    +0.089 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.393   0.327  -0.411  0.00  0.00    +0.060 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.854   0.700  -0.327  0.00  0.00    -0.045 A 
ATOM     22  C   LIG    1        4.769   0.194  -1.261  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        6.122   0.527  -1.177  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.572   1.367  -0.160  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.670   1.877   0.771  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.317   1.546   0.689  0.00  0.00    +0.004 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 5