REMARK  Name = BDB034313
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.411  -0.658   1.216  0.00  0.00    +0.086 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -0.847  -0.149   0.634  0.00  0.00    -0.298 NA
BRANCH   2   3
ATOM      3  C   LIG    1       -1.089   1.254   1.023  0.00  0.00    +0.084 C 
BRANCH   3   5
ATOM      4  C   LIG    1       -0.543   3.673   0.562  0.00  0.00    +0.005 C 
ATOM      5  C   LIG    1       -0.226   2.228   0.207  0.00  0.00    +0.012 C 
ENDBRANCH   3   5
ENDBRANCH   2   3
BRANCH   2   6
ATOM      6  C   LIG    1       -1.987  -1.011   1.023  0.00  0.00    +0.120 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -3.268  -0.750   0.233  0.00  0.00    -0.028 A 
ATOM      8  C   LIG    1       -4.449  -0.314   0.889  0.00  0.00    -0.046 A 
ATOM      9  C   LIG    1       -4.507  -0.091   2.377  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -5.617  -0.080   0.142  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -5.641  -0.254  -1.243  0.00  0.00    -0.050 A 
ATOM     12  C   LIG    1       -6.902  -0.021  -2.019  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -4.486  -0.703  -1.885  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -3.304  -0.961  -1.169  0.00  0.00    -0.046 A 
ATOM     15  C   LIG    1       -2.096  -1.421  -1.944  0.00  0.00    +0.044 C 
ENDBRANCH   6   7
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1        0.989  -1.819   0.395  0.00  0.00    +0.034 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.294  -2.363   0.983  0.00  0.00    +0.103 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.399  -1.409   0.921  0.00  0.00    -0.343 N 
ATOM     19  H   LIG    1        3.257  -0.609   1.530  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1        4.040  -1.058  -0.279  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1        4.967   0.027  -0.312  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1        5.604   0.320  -1.545  0.00  0.00    +0.074 A 
ATOM     23  C   LIG    1        6.492   1.382  -1.624  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1        6.786   2.164  -0.512  0.00  0.00    +0.043 A 
ATOM     25  C   LIG    1        6.195   1.890   0.711  0.00  0.00    +0.021 A 
ATOM     26 CL   LIG    1        7.896   3.472  -0.651  0.00  0.00    -0.083 Cl
ATOM     27  N   LIG    1        5.401  -0.393  -2.659  0.00  0.00    -0.255 NA
ATOM     28  C   LIG    1        4.570  -1.447  -2.586  0.00  0.00    +0.113 A 
ATOM     29  C   LIG    1        5.296   0.828   0.811  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        3.893  -1.820  -1.440  0.00  0.00    +0.043 A 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9