REMARK  Name = BDB046582
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.845  -0.627  -0.351  0.00  0.00    -0.047 A 
ATOM      2  C   LIG    1       -0.469   0.722  -0.296  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1        0.750   1.098   0.277  0.00  0.00    +0.013 A 
ATOM      4  C   LIG    1        1.611   0.124   0.795  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        1.234  -1.222   0.756  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        0.017  -1.596   0.181  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.918   0.475   1.417  0.00  0.00    +0.244 C 
ATOM      8  N   LIG    1        3.533   1.613   0.940  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        3.203   2.014   0.073  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        3.402  -0.248   2.279  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        4.867   1.979   1.360  0.00  0.00    +0.139 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.889   1.538   0.343  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        6.333   0.205   0.322  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        7.262  -0.216  -0.629  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1        7.744   0.692  -1.563  0.00  0.00    +0.123 A 
ATOM     16  F   LIG    1        8.636   0.288  -2.478  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        7.314   2.013  -1.566  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1        6.383   2.438  -0.615  0.00  0.00    +0.008 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -2.167  -1.030  -0.962  0.00  0.00    +0.049 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.381  -0.693  -0.080  0.00  0.00    +0.102 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.621  -0.856  -0.938  0.00  0.00    +0.310 C 
ATOM     22  O   LIG    1       -4.918  -1.880  -1.538  0.00  0.00    -0.251 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -5.352   0.293  -0.932  0.00  0.00    -0.465 OA
BRANCH  23  25
ATOM     24  C   LIG    1       -7.700  -0.290  -0.850  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1       -6.568   0.265  -1.694  0.00  0.00    +0.229 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  20  21
BRANCH  20  26
ATOM     26  C   LIG    1       -3.482  -1.596   1.160  0.00  0.00    +0.011 C 
ATOM     27  C   LIG    1       -4.610  -1.183   2.098  0.00  0.00    +0.004 C 
ENDBRANCH  20  26
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 9