REMARK  Name = BDB021761
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.366   2.421  -1.276  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.530   2.185  -1.992  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.168   0.987  -1.845  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        2.787   0.795  -2.622  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        1.998   2.991  -2.798  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -2.824  -0.349  -0.803  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -2.324   0.247   0.442  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -1.452   1.491   0.220  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -0.618   1.333  -1.053  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1       -1.532   1.131  -2.280  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -2.923   0.612  -1.899  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1       -4.005  -1.226  -0.660  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1       -5.283  -0.484  -0.240  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -3.686  -2.410   0.284  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -4.334  -4.703   1.109  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -4.760  -3.503   0.276  0.00  0.00    -0.002 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1        2.480   0.288  -0.657  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        3.136  -0.946  -0.794  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        3.505  -1.720   0.322  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1        3.203  -1.199   1.593  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        2.570   0.036   1.742  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        2.214   0.779   0.619  0.00  0.00    +0.023 A 
BRANCH  19  23
ATOM     23  C   LIG    1        4.207  -3.084   0.194  0.00  0.00    -0.013 C 
ATOM     24  C   LIG    1        5.576  -3.033   0.907  0.00  0.00    +0.015 C 
ATOM     25  C   LIG    1        3.335  -4.179   0.846  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1        4.471  -3.519  -1.266  0.00  0.00    +0.015 C 
ENDBRANCH  19  23
ENDBRANCH   3  17
BRANCH   1  27
ATOM     27  C   LIG    1       -0.117   3.807  -1.248  0.00  0.00    +0.144 C 
BRANCH  27  28
ATOM     28  C   LIG    1        0.273   4.517   0.030  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -0.701   4.933   0.949  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -0.334   5.589   2.126  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        1.010   5.840   2.396  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        1.988   5.440   1.488  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        1.622   4.786   0.311  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 8