REMARK  Name = BDB058195
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.150   0.982  -0.000  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -1.096   0.057  -0.340  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -2.576   0.122  -0.433  0.00  0.00    +0.065 C 
ATOM      4  C   LIG    1       -2.845  -1.211  -1.153  0.00  0.00    +0.105 C 
ATOM      5  N   LIG    1       -1.751  -2.155  -0.780  0.00  0.00    -0.307 N 
ATOM      6  C   LIG    1       -1.982  -2.947   0.449  0.00  0.00    +0.135 C 
ATOM      7  C   LIG    1       -3.409  -3.501   0.474  0.00  0.00    +0.179 C 
ATOM      8  O   LIG    1       -4.362  -2.428   0.377  0.00  0.00    -0.376 OA
ATOM      9  C   LIG    1       -4.244  -1.792  -0.902  0.00  0.00    +0.182 C 
ATOM     10  C   LIG    1       -0.668  -1.244  -0.494  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1        0.592  -1.635  -0.315  0.00  0.00    -0.199 NA
ATOM     12  C   LIG    1        1.482  -0.682  -0.003  0.00  0.00    +0.220 A 
ATOM     13  N   LIG    1        1.139   0.611   0.166  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1       -0.993   5.076   0.679  0.00  0.00    +0.116 A 
ATOM     15  N   LIG    1       -1.436   4.505  -0.451  0.00  0.00    -0.240 NA
ATOM     16  C   LIG    1       -1.136   3.195  -0.641  0.00  0.00    +0.123 A 
ATOM     17  C   LIG    1       -0.429   2.397   0.254  0.00  0.00    +0.019 A 
ATOM     18  C   LIG    1        0.031   3.038   1.409  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1       -0.251   4.387   1.625  0.00  0.00    +0.044 A 
BRANCH  14  20
ATOM     20  N   LIG    1       -1.281   6.426   0.850  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1       -1.732   6.605   1.739  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1       -1.862   6.708   0.064  0.00  0.00    +0.144 HD
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH  12  23
ATOM     23  N   LIG    1        2.801  -1.049   0.198  0.00  0.00    -0.295 N 
ATOM     24  C   LIG    1        3.181  -2.387  -0.269  0.00  0.00    +0.136 C 
ATOM     25  C   LIG    1        4.687  -2.598  -0.056  0.00  0.00    +0.179 C 
ATOM     26  O   LIG    1        5.507  -1.653  -0.761  0.00  0.00    -0.377 OA
ATOM     27  C   LIG    1        4.862  -0.388  -0.978  0.00  0.00    +0.179 C 
ATOM     28  C   LIG    1        3.841  -0.017   0.110  0.00  0.00    +0.136 C 
ENDBRANCH  12  23
TORSDOF 3