REMARK  Name = BDB006679
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.584  -0.738  -0.453  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        1.229  -0.563  -0.409  0.00  0.00    +0.135 A 
ATOM      3  C   LIG    1        0.058  -1.205   0.085  0.00  0.00    +0.270 C 
ATOM      4  N   LIG    1       -1.021  -0.332  -0.261  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1       -0.518   0.906  -0.940  0.00  0.00    +0.146 C 
ATOM      6  O   LIG    1        0.017  -2.271   0.674  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1        0.932   0.644  -0.969  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1        2.150   1.195  -1.352  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1        2.427   2.501  -1.993  0.00  0.00    +0.068 C 
ATOM     10  N   LIG    1        3.155   0.366  -1.037  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -2.385  -0.570  -0.057  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -3.342   0.257  -0.524  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1       -4.696   0.031  -0.335  0.00  0.00    -0.316 N 
ATOM     14  C   LIG    1       -5.642   0.994  -0.882  0.00  0.00    +0.152 C 
ATOM     15  C   LIG    1       -5.183  -1.077   0.351  0.00  0.00    +0.254 A 
ATOM     16  O   LIG    1       -6.375  -1.315   0.525  0.00  0.00    -0.267 OA
ATOM     17  C   LIG    1       -4.144  -2.005   0.891  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -4.636  -3.194   1.653  0.00  0.00    +0.049 C 
ATOM     19  C   LIG    1       -2.843  -1.737   0.683  0.00  0.00    +0.033 A 
ENDBRANCH   4  11
BRANCH   5  20
ATOM     20  C   LIG    1       -0.695   2.195  -0.160  0.00  0.00    -0.022 A 
ATOM     21  C   LIG    1       -0.598   2.249   1.243  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1       -0.765   3.456   1.927  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -1.028   4.624   1.217  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -1.235   6.110   2.057  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -1.126   4.596  -0.172  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -0.960   3.389  -0.857  0.00  0.00    +0.007 A 
ENDBRANCH   5  20
BRANCH   1  28
ATOM     27  C   LIG    1        4.719  -1.740   0.253  0.00  0.00    +0.241 A 
ATOM     28  C   LIG    1        3.368  -1.861  -0.085  0.00  0.00    +0.128 A 
ATOM     29  C   LIG    1        2.816  -3.147  -0.090  0.00  0.00    +0.034 A 
ATOM     30  C   LIG    1        3.604  -4.246   0.243  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1        4.928  -4.026   0.566  0.00  0.00    +0.115 A 
ATOM     32  N   LIG    1        5.498  -2.805   0.581  0.00  0.00    -0.220 NA
BRANCH  27  34
ATOM     33  C   LIG    1        6.694  -0.502   0.534  0.00  0.00    +0.279 C 
ATOM     34  O   LIG    1        5.280  -0.489   0.386  0.00  0.00    -0.478 OA
ENDBRANCH  27  34
ENDBRANCH   1  28
TORSDOF 4