REMARK  Name = BDB027873
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.439   1.079  -0.031  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.145   2.357  -0.078  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.538   2.384  -0.023  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        2.125   3.640  -0.072  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.470   4.828  -0.161  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        0.129   4.765  -0.201  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.287   1.276   0.075  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.639   0.102   0.120  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -0.571   3.574  -0.163  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.302  -0.034   0.080  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.453  -1.124   0.222  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        1.880  -2.398   0.094  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        2.685  -3.522   0.198  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        4.013  -3.475   0.421  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        4.560  -2.249   0.539  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        3.837  -1.070   0.448  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.847   0.976  -0.102  0.00  0.00    -0.315 N 
ATOM     18  H   LIG    1       -2.100   1.389  -1.004  0.00  0.00    +0.148 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -4.001  -0.144  -0.130  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -2.478  -0.369  -0.021  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1       -2.203  -1.029   1.340  0.00  0.00    +0.041 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -2.079  -1.231  -1.255  0.00  0.00    +0.233 C 
ATOM     23  O   LIG    1       -1.791  -0.738  -2.347  0.00  0.00    -0.274 OA
ATOM     24  N   LIG    1       -2.182  -2.590  -1.147  0.00  0.00    -0.328 N 
ATOM     25  H   LIG    1       -2.153  -3.058  -0.253  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -1.859  -3.113  -1.952  0.00  0.00    +0.145 HD
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 4