REMARK  Name = BDB018519
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.833   1.491  -0.270  0.00  0.00    -0.001 A 
ATOM      2  C   LIG    1       -0.447   1.752   0.152  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.034   3.035   0.202  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -0.860   4.101  -0.107  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -0.322   5.449  -0.004  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -2.184   3.927  -0.485  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -2.972   4.830  -0.748  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -2.648   2.519  -0.570  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -3.450  -2.338  -0.760  0.00  0.00    +0.318 A 
ATOM     10  N   LIG    1       -3.910  -1.603   0.267  0.00  0.00    -0.203 NA
ATOM     11  C   LIG    1       -3.373  -0.372   0.400  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1       -2.408   0.146  -0.442  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1       -2.016  -0.704  -1.458  0.00  0.00    +0.126 A 
ATOM     14  N   LIG    1       -2.521  -1.942  -1.642  0.00  0.00    -0.203 NA
BRANCH   9  16
ATOM     15  C   LIG    1       -4.895  -4.007  -0.003  0.00  0.00    +0.280 C 
ATOM     16  O   LIG    1       -3.943  -3.606  -0.978  0.00  0.00    -0.466 OA
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   2  17
ATOM     17  C   LIG    1        0.447   0.690   0.505  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        1.697   0.468  -0.028  0.00  0.00    +0.123 A 
ATOM     19  N   LIG    1        2.215  -0.655   0.586  0.00  0.00    -0.236 N 
ATOM     20  N   LIG    1        1.340  -1.144   1.510  0.00  0.00    -0.174 NA
ATOM     21  C   LIG    1        0.282  -0.336   1.448  0.00  0.00    +0.143 A 
BRANCH  19  22
ATOM     22  C   LIG    1        3.465  -1.298   0.376  0.00  0.00    +0.100 A 
ATOM     23  C   LIG    1        4.402  -0.822  -0.543  0.00  0.00    +0.149 A 
ATOM     24  F   LIG    1        4.186   0.274  -1.282  0.00  0.00    -0.203 F 
ATOM     25  C   LIG    1        5.620  -1.479  -0.727  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        5.918  -2.624   0.010  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        4.994  -3.111   0.931  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        3.774  -2.454   1.116  0.00  0.00    +0.031 A 
ENDBRANCH  19  22
ENDBRANCH   2  17
TORSDOF 4