REMARK  Name = BDB027959
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.758  -0.565   1.088  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -0.722   0.291  -0.014  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1       -1.901   0.675  -0.668  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -3.156   0.202  -0.266  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -3.195  -0.616   0.863  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1       -2.019  -1.004   1.520  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        4.309   0.617   0.662  0.00  0.00    +0.403 C 
ATOM      8  N   LIG    1        3.074   0.072   1.007  0.00  0.00    -0.267 N 
ATOM      9  C   LIG    1        2.170   0.913   1.780  0.00  0.00    +0.111 C 
ATOM     10  C   LIG    1        1.187   0.104   2.616  0.00  0.00    +0.027 C 
ATOM     11  C   LIG    1        0.481  -1.019   1.845  0.00  0.00    +0.022 C 
ATOM     12  C   LIG    1        1.476  -1.832   1.004  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1        2.475  -0.995   0.213  0.00  0.00    +0.111 C 
ATOM     14  O   LIG    1        4.743   1.662   1.131  0.00  0.00    -0.226 OA
BRANCH   7  15
ATOM     15  O   LIG    1        4.970  -0.142  -0.249  0.00  0.00    -0.445 OA
BRANCH  15  17
ATOM     16  C   LIG    1        6.220   1.575  -1.499  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1        6.279   0.244  -0.742  0.00  0.00    +0.107 C 
ATOM     18  C   LIG    1        6.662  -0.866  -1.732  0.00  0.00    +0.055 C 
ATOM     19  C   LIG    1        7.315   0.270   0.387  0.00  0.00    +0.055 C 
ENDBRANCH  15  17
ENDBRANCH   7  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1       -4.288   0.685  -0.927  0.00  0.00    -0.333 N 
ATOM     21  H   LIG    1       -4.073   0.915  -1.903  0.00  0.00    +0.147 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -5.578  -0.011  -0.828  0.00  0.00    +0.158 C 
ATOM     23  C   LIG    1       -6.328   0.122  -2.167  0.00  0.00    +0.239 C 
ATOM     24  O   LIG    1       -5.753   0.318  -3.238  0.00  0.00    -0.273 OA
ATOM     25  N   LIG    1       -7.695  -0.012  -2.119  0.00  0.00    -0.255 N 
ATOM     26  H   LIG    1       -8.178   0.081  -3.002  0.00  0.00    +0.158 HD
ATOM     27  C   LIG    1       -8.490   0.010  -1.002  0.00  0.00    +0.219 C 
ATOM     28  O   LIG    1       -9.713   0.038  -1.096  0.00  0.00    -0.275 OA
ATOM     29  C   LIG    1       -7.783  -0.057   0.331  0.00  0.00    +0.098 C 
ATOM     30  C   LIG    1       -6.428   0.628   0.269  0.00  0.00    +0.041 C 
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 5