REMARK  Name = BDB040718
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.182   0.492   1.330  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -1.385   1.686   1.392  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1       -0.146   0.772   1.413  0.00  0.00    +0.111 C 
ATOM      4  C   LIG    1       -1.089  -0.297   0.827  0.00  0.00    +0.129 C 
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -6.283   0.205   0.249  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -5.760   1.366   0.815  0.00  0.00    +0.132 A 
ATOM      7  F   LIG    1       -6.561   2.419   1.037  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -4.415   1.468   1.172  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1       -3.539   0.397   0.965  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -4.059  -0.777   0.411  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -5.406  -0.862   0.059  0.00  0.00    +0.132 A 
ATOM     12  F   LIG    1       -5.857  -2.010  -0.467  0.00  0.00    -0.205 F 
BRANCH   5  19
ATOM     13  O   LIG    1      -11.125  -1.723  -1.645  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1      -10.100  -1.242  -1.172  0.00  0.00    +0.219 C 
ATOM     15  N   LIG    1       -9.052  -0.877  -1.978  0.00  0.00    -0.256 N 
ATOM     16  H   LIG    1       -9.180  -1.038  -2.968  0.00  0.00    +0.157 HD
ATOM     17  C   LIG    1       -7.923  -0.173  -1.631  0.00  0.00    +0.227 C 
ATOM     18  O   LIG    1       -7.164   0.244  -2.504  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -7.740   0.123  -0.143  0.00  0.00    +0.111 C 
ATOM     20  C   LIG    1       -8.491  -0.906   0.710  0.00  0.00    +0.027 C 
ATOM     21  C   LIG    1       -9.955  -0.941   0.300  0.00  0.00    +0.097 C 
ENDBRANCH   5  19
ENDBRANCH   1   9
BRANCH   3  22
ATOM     22  N   LIG    1        0.960   1.189   0.533  0.00  0.00    -0.275 N 
ATOM     23  H   LIG    1        0.984   2.094   0.083  0.00  0.00    +0.152 HD
ATOM     24  C   LIG    1        1.989   0.358   0.210  0.00  0.00    +0.401 C 
ATOM     25  O   LIG    1        2.131  -0.784   0.620  0.00  0.00    -0.226 OA
BRANCH  24  26
ATOM     26  O   LIG    1        2.831   0.993  -0.639  0.00  0.00    -0.444 OA
BRANCH  26  27
ATOM     27  C   LIG    1        3.957   0.194  -1.072  0.00  0.00    +0.213 C 
ATOM     28  C   LIG    1        5.038  -0.126  -0.023  0.00  0.00    +0.155 C 
ATOM     29  N   LIG    1        6.031   0.235  -1.034  0.00  0.00    -0.278 N 
ATOM     30  C   LIG    1        7.298   0.721  -0.818  0.00  0.00    +0.305 C 
ATOM     31  N   LIG    1        8.059   0.093   0.138  0.00  0.00    -0.285 N 
ATOM     32  C   LIG    1        7.809  -1.192   0.771  0.00  0.00    +0.109 C 
ATOM     33  C   LIG    1        9.173  -1.644   1.278  0.00  0.00    +0.020 C 
ATOM     34  C   LIG    1        9.886  -0.326   1.555  0.00  0.00    +0.020 C 
ATOM     35  C   LIG    1        9.409   0.553   0.410  0.00  0.00    +0.109 C 
ATOM     36  O   LIG    1        7.734   1.672  -1.468  0.00  0.00    -0.252 OA
ATOM     37  C   LIG    1        5.042   0.945  -1.853  0.00  0.00    +0.155 C 
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   3  22
TORSDOF 5