REMARK  Name = BDB014879
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.636   6.261   0.873  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1        2.335   4.929   0.779  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        1.572   3.789   0.998  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        2.314   2.513   0.990  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1        1.385   1.360   0.870  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        1.635  -0.026   0.676  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1        0.482  -0.704   0.636  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -0.482   0.219   0.785  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1        0.013   1.473   0.948  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -0.722   2.745   1.127  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1        0.256   3.807   1.675  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1        3.536   4.879   0.509  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        2.894  -0.516   0.554  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        3.655   0.150   0.567  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.379  -1.834   0.387  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        4.766  -2.025   0.231  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        5.324  -3.303   0.066  0.00  0.00    -0.049 A 
ATOM     18  C   LIG    1        6.801  -3.465  -0.133  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        4.478  -4.412   0.031  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        3.103  -4.245   0.183  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        2.563  -2.968   0.361  0.00  0.00    +0.023 A 
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  22
ATOM     22  C   LIG    1       -1.872  -0.201   0.739  0.00  0.00    +0.144 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.400  -0.247  -0.695  0.00  0.00    +0.028 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.907  -0.553  -0.781  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.255  -1.951  -0.240  0.00  0.00    +0.084 C 
ATOM     26  N   LIG    1       -5.683  -2.251  -0.372  0.00  0.00    -0.316 NA
ATOM     27  H   LIG    1       -6.220  -1.571   0.166  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -6.107  -2.191  -1.771  0.00  0.00    +0.081 C 
ATOM     29  C   LIG    1       -5.849  -0.814  -2.375  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1       -4.382  -0.419  -2.238  0.00  0.00    +0.006 C 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 5