REMARK  Name = BDB016997
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.086  -0.474   0.951  0.00  0.00    -0.335 N 
ATOM      2  C   LIG    1        2.358  -0.888   0.681  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        3.033   0.251   0.292  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        2.189   1.345   0.335  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        1.029   0.873   0.735  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        4.432   0.319  -0.103  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        5.163  -0.822  -0.014  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        6.459  -0.766  -0.387  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        7.077   0.386  -0.831  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1        6.315   1.551  -0.892  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.966   1.522  -0.544  0.00  0.00    +0.045 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.969   2.789  -1.368  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1        7.844   2.785  -2.216  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1        6.544   3.905  -0.742  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        5.950   3.762   0.019  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  C   LIG    1       -0.011  -1.308   1.405  0.00  0.00    +0.138 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.916  -1.738   0.243  0.00  0.00    +0.106 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.017  -2.627   0.649  0.00  0.00    -0.299 NA
ATOM     19  C   LIG    1       -2.612  -3.274  -0.520  0.00  0.00    +0.105 C 
BRANCH  18  20
ATOM     20  C   LIG    1       -3.029  -2.012   1.528  0.00  0.00    +0.119 C 
BRANCH  20  25
ATOM     21  C   LIG    1       -5.886   2.646  -0.530  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -5.138   1.450  -0.021  0.00  0.00    -0.050 A 
ATOM     23  C   LIG    1       -5.576   0.158  -0.324  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1       -4.897  -0.957   0.176  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -3.767  -0.803   0.991  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1       -3.349   0.496   1.314  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.028   1.611   0.815  0.00  0.00    +0.003 A 
ENDBRANCH  20  25
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8