REMARK  Name = BDB007099
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.647   0.510   0.988  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.312   0.098  -0.311  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -0.998  -0.351  -0.590  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -1.642  -0.829  -1.774  0.00  0.00    -0.022 A 
ATOM      5  C   LIG    1       -2.952  -1.138  -1.437  0.00  0.00    +0.020 A 
ATOM      6  N   LIG    1       -3.126  -0.833  -0.100  0.00  0.00    -0.339 N 
ATOM      7  C   LIG    1       -4.043  -1.683  -2.297  0.00  0.00    +0.064 C 
ATOM      8  C   LIG    1       -1.024  -0.980  -3.121  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1       -1.940  -0.365   0.441  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -1.620   0.062   1.742  0.00  0.00    +0.027 A 
ATOM     11  C   LIG    1       -0.318   0.502   1.995  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     12  N   LIG    1        3.049   0.449   0.596  0.00  0.00    -0.305 N 
ATOM     13  H   LIG    1        2.869  -0.339  -0.010  0.00  0.00    +0.150 HD
ATOM     14  C   LIG    1        2.015   0.992   1.326  0.00  0.00    +0.245 C 
ATOM     15  O   LIG    1        2.173   1.806   2.228  0.00  0.00    -0.270 OA
BRANCH  12  16
ATOM     16  C   LIG    1        4.442   0.783   0.852  0.00  0.00    +0.103 C 
BRANCH  16  17
ATOM     17  C   LIG    1        5.261  -0.499   0.812  0.00  0.00    -0.027 A 
ATOM     18  C   LIG    1        5.553  -1.163   2.016  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        6.277  -2.357   2.018  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        6.710  -2.911   0.817  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        6.416  -2.275  -0.387  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        5.691  -1.081  -0.391  0.00  0.00    +0.005 A 
ENDBRANCH  16  17
BRANCH  16  24
ATOM     23  C   LIG    1        4.334   3.228   0.101  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1        4.952   1.855  -0.134  0.00  0.00    +0.024 C 
ENDBRANCH  16  24
ENDBRANCH  12  16
ENDBRANCH   1  14
BRANCH   6  25
ATOM     25  C   LIG    1       -4.369  -1.012   0.653  0.00  0.00    +0.160 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.379   0.072   0.369  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -6.676  -0.275  -0.028  0.00  0.00    +0.131 A 
ATOM     28  F   LIG    1       -7.004  -1.566  -0.175  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -7.644   0.690  -0.281  0.00  0.00    +0.077 A 
ATOM     30  C   LIG    1       -7.314   2.028  -0.127  0.00  0.00    +0.126 A 
ATOM     31  F   LIG    1       -8.238   2.967  -0.367  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -6.039   2.409   0.276  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1       -5.072   1.433   0.529  0.00  0.00    +0.011 A 
ENDBRANCH  25  26
ENDBRANCH   6  25
TORSDOF 6