REMARK  Name = BDB048166
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.286  -1.826   0.018  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        1.759  -0.530   0.109  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        0.379  -0.334   0.039  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -0.498  -1.434  -0.135  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        0.040  -2.724  -0.217  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1        1.421  -2.918  -0.142  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -1.891  -1.181  -0.199  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1       -2.625  -1.648   1.008  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1       -3.626  -2.779   0.684  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -4.627  -2.408  -0.339  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -5.259  -3.600  -0.898  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -4.043  -1.546  -1.390  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -2.501  -1.594  -1.485  0.00  0.00    +0.120 C 
ENDBRANCH   4   7
BRANCH   3  14
ATOM     14  N   LIG    1       -0.249   0.927   0.124  0.00  0.00    -0.280 N 
ATOM     15  H   LIG    1       -1.261   0.842   0.072  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1        0.323   2.158   0.350  0.00  0.00    +0.248 C 
ATOM     17  O   LIG    1        1.508   2.385   0.562  0.00  0.00    -0.270 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -0.631   3.304   0.359  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1       -0.349   4.394   1.200  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -1.190   5.509   1.228  0.00  0.00    +0.061 A 
ATOM     21  C   LIG    1       -2.361   5.476   0.457  0.00  0.00    +0.144 A 
ATOM     22  F   LIG    1       -3.219   6.506   0.512  0.00  0.00    -0.204 F 
ATOM     23  C   LIG    1       -2.647   4.410  -0.393  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1       -1.774   3.324  -0.453  0.00  0.00    +0.016 A 
BRANCH  20  25
ATOM     25  N   LIG    1       -0.973   6.530   2.168  0.00  0.00    -0.356 N 
ATOM     26  H   LIG    1        0.004   6.687   2.395  0.00  0.00    +0.142 HD
ATOM     27  H   LIG    1       -1.469   7.389   1.936  0.00  0.00    +0.142 HD
ENDBRANCH  20  25
ENDBRANCH  16  18
ENDBRANCH   3  14
BRANCH   1  28
ATOM     28  C   LIG    1        3.747  -2.102   0.086  0.00  0.00    +0.339 C 
ATOM     29  O   LIG    1        4.220  -3.226   0.018  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1        4.447  -0.951   0.228  0.00  0.00    -0.458 OA
BRANCH  30  32
ATOM     31  C   LIG    1        6.396   0.148   1.050  0.00  0.00    +0.052 C 
ATOM     32  C   LIG    1        5.878  -1.077   0.306  0.00  0.00    +0.171 C 
ATOM     33  C   LIG    1        6.462  -1.141  -1.100  0.00  0.00    +0.052 C 
ENDBRANCH  30  32
ENDBRANCH  28  30
ENDBRANCH   1  28
TORSDOF 7