REMARK  Name = BDB002720
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.975   1.878   2.139  0.00  0.00    +0.231 C 
ATOM      2  N   LIG    1       -1.251   0.710   2.835  0.00  0.00    -0.219 N 
ATOM      3  H   LIG    1       -0.478   0.057   2.956  0.00  0.00    +0.176 HD
ATOM      4  O   LIG    1       -1.828   2.544   1.561  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   5
ATOM      5  N   LIG    1       -2.454   0.049   2.507  0.00  0.00    -0.212 N 
ATOM      6  C   LIG    1       -2.344  -1.155   1.827  0.00  0.00    +0.279 A 
ATOM      7  O   LIG    1       -1.267  -1.667   1.526  0.00  0.00    -0.265 OA
ATOM      8  C   LIG    1       -3.628  -1.814   1.522  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -4.801  -1.209   1.990  0.00  0.00    +0.078 A 
ATOM     10  C   LIG    1       -6.023  -1.824   1.715  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -6.073  -3.017   0.988  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -4.896  -3.609   0.528  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1       -4.798  -0.011   2.728  0.00  0.00    -0.235 NA
ATOM     14  C   LIG    1       -3.666  -3.009   0.795  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -3.656   0.557   2.939  0.00  0.00    +0.223 A 
ENDBRANCH   2   5
BRANCH   1  16
ATOM     16  C   LIG    1        0.485   2.280   2.236  0.00  0.00    +0.097 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.895   3.339   1.213  0.00  0.00    +0.009 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.851   2.879  -0.249  0.00  0.00    +0.000 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.788   1.706  -0.553  0.00  0.00    +0.000 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.804   1.389  -2.051  0.00  0.00    +0.000 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.617   0.138  -2.402  0.00  0.00    -0.000 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.118   0.299  -2.147  0.00  0.00    -0.000 C 
BRANCH  22  24
ATOM     23  C   LIG    1        4.949  -1.251  -4.000  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        4.929  -0.948  -2.510  0.00  0.00    -0.003 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9