REMARK  Name = BDB001787
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.203   0.033   0.894  0.00  0.00    -0.286 N 
ATOM      2  H   LIG    1        2.631  -0.696   1.451  0.00  0.00    +0.151 HD
ATOM      3  C   LIG    1        1.227  -0.462   0.063  0.00  0.00    +0.300 C 
ATOM      4  N   LIG    1        0.514  -1.450   0.690  0.00  0.00    -0.297 N 
ATOM      5  H   LIG    1        0.536  -1.407   1.699  0.00  0.00    +0.151 HD
ATOM      6  O   LIG    1        1.032  -0.061  -1.074  0.00  0.00    -0.253 OA
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        3.156   1.007   0.358  0.00  0.00    +0.180 C 
ATOM      8  C   LIG    1        3.728   1.859   1.481  0.00  0.00    +0.040 C 
BRANCH   7   9
ATOM      9  C   LIG    1        4.294   0.255  -0.338  0.00  0.00    +0.327 C 
ATOM     10  O   LIG    1        4.674  -0.867  -0.018  0.00  0.00    -0.249 OA
BRANCH   9  12
ATOM     11  C   LIG    1        5.923   0.390  -2.012  0.00  0.00    +0.280 C 
ATOM     12  O   LIG    1        4.858   1.028  -1.308  0.00  0.00    -0.467 OA
ENDBRANCH   9  12
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   4  13
ATOM     13  C   LIG    1       -0.621  -2.140   0.086  0.00  0.00    +0.072 C 
ATOM     14  C   LIG    1       -0.197  -2.958  -1.135  0.00  0.00    +0.028 C 
BRANCH  13  15
ATOM     15  C   LIG    1       -1.797  -1.208  -0.255  0.00  0.00    +0.026 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.323  -0.454   0.970  0.00  0.00    +0.037 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.533   0.384   0.636  0.00  0.00    -0.047 A 
ATOM     18  C   LIG    1       -3.380   1.615  -0.017  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1       -4.497   2.388  -0.338  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -5.775   1.937  -0.013  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -5.937   0.712   0.631  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.822  -0.063   0.953  0.00  0.00    +0.003 A 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   4  13
TORSDOF 7