REMARK  Name = BDB022062
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.743  -0.224   1.009  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1        0.599   0.184   1.639  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1        1.732   0.097   0.624  0.00  0.00    +0.109 C 
ATOM      4  N   LIG    1        1.866  -1.249   0.064  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1        3.076  -1.796  -0.362  0.00  0.00    +0.247 C 
ATOM      6  O   LIG    1        3.249  -2.997  -0.556  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        0.729  -2.152   0.219  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -0.597  -1.419   0.049  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.225  -0.893  -0.603  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        5.443  -1.171   0.030  0.00  0.00    +0.016 A 
ATOM     11  C   LIG    1        6.545  -0.346  -0.199  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.423   0.734  -1.068  0.00  0.00    +0.123 A 
ATOM     13  F   LIG    1        7.482   1.524  -1.288  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1        5.223   1.004  -1.720  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        4.117   0.182  -1.494  0.00  0.00    +0.016 A 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     16  N   LIG    1       -3.121  -0.522   1.785  0.00  0.00    -0.285 N 
ATOM     17  H   LIG    1       -3.627  -1.127   2.422  0.00  0.00    +0.155 HD
ATOM     18  C   LIG    1       -1.782  -0.534   2.087  0.00  0.00    +0.220 C 
ATOM     19  O   LIG    1       -1.452  -0.895   3.219  0.00  0.00    -0.275 OA
BRANCH  16  21
ATOM     20  C   LIG    1       -3.712   1.019  -0.059  0.00  0.00    -0.026 A 
ATOM     21  C   LIG    1       -3.718  -0.256   0.543  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1       -4.425  -1.312  -0.048  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -5.055  -1.145  -1.280  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -5.015   0.093  -1.910  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.367   1.167  -1.297  0.00  0.00    +0.005 A 
BRANCH  20  27
ATOM     26  C   LIG    1       -2.320   3.167  -0.206  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1       -3.203   2.262   0.648  0.00  0.00    +0.033 C 
ENDBRANCH  20  27
ENDBRANCH  16  21
ENDBRANCH   1  18
TORSDOF 4