REMARK  Name = BDB057062
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.442   0.200  -0.318  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.692   0.815  -0.522  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.752   0.159   0.068  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -3.602  -0.819   0.268  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -2.803   1.837  -1.195  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        2.506   0.895   0.027  0.00  0.00    -0.302 NA
ATOM      7  C   LIG    1        1.439   1.714   0.617  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        0.290   2.028  -0.340  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -0.283   0.786  -1.042  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        0.814  -0.198  -1.483  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        1.963  -0.366  -0.489  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1        3.306   1.652  -0.949  0.00  0.00    +0.084 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.619   0.971  -1.366  0.00  0.00    +0.015 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.536   0.654  -0.180  0.00  0.00    +0.001 C 
BRANCH  14  15
ATOM     15  C   LIG    1        6.860   0.048  -0.653  0.00  0.00    -0.000 C 
BRANCH  15  17
ATOM     16  C   LIG    1        7.398  -1.251   1.477  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1        7.856  -0.195   0.483  0.00  0.00    -0.003 C 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  18
ATOM     18  C   LIG    1       -5.089   0.597   0.159  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1       -5.499   1.904  -0.115  0.00  0.00    +0.035 A 
ATOM     20  C   LIG    1       -6.849   2.279   0.013  0.00  0.00    +0.057 A 
ATOM     21  C   LIG    1       -7.789   1.320   0.415  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -7.386   0.018   0.701  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -6.042  -0.339   0.578  0.00  0.00    +0.023 A 
BRANCH  20  24
ATOM     24  C   LIG    1       -7.273   3.690  -0.311  0.00  0.00    +0.417 C 
ATOM     25  F   LIG    1       -7.406   3.901  -1.649  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -6.393   4.629   0.135  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -8.476   4.027   0.238  0.00  0.00    -0.166 F 
ENDBRANCH  20  24
ENDBRANCH   3  18
BRANCH   1  28
ATOM     28  C   LIG    1       -1.215  -0.732   0.790  0.00  0.00    +0.144 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.357  -2.199   0.444  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -1.859  -2.659  -0.783  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -1.992  -4.027  -1.033  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -1.629  -4.954  -0.060  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -1.133  -4.516   1.165  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -1.000  -3.149   1.416  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 10