REMARK  Name = BDB014534
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.368   0.653   0.779  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        1.591   0.475   1.889  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        2.017   0.798   2.751  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        3.470   1.194   0.906  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        1.839   0.165  -0.570  0.00  0.00    +0.326 C 
BRANCH   5   6
ATOM      6  O   LIG    1        2.731   0.607  -1.590  0.00  0.00    -0.466 OA
BRANCH   6   8
ATOM      7  C   LIG    1        4.781  -0.565  -1.931  0.00  0.00    +0.096 A 
ATOM      8  C   LIG    1        3.399  -0.463  -2.138  0.00  0.00    +0.237 A 
ATOM      9  N   LIG    1        2.659  -1.288  -2.913  0.00  0.00    -0.220 NA
ATOM     10  C   LIG    1        3.338  -2.275  -3.533  0.00  0.00    +0.115 A 
ATOM     11  C   LIG    1        4.706  -2.465  -3.411  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        5.436  -1.597  -2.596  0.00  0.00    +0.030 A 
BRANCH   7  15
ATOM     13  C   LIG    1        7.022   1.476   0.322  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        6.736   0.399  -0.694  0.00  0.00    +0.214 C 
ATOM     15  N   LIG    1        5.407   0.347  -1.052  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1        4.769   0.985  -0.571  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        7.630  -0.337  -1.099  0.00  0.00    -0.276 OA
ENDBRANCH   7  15
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  18
ATOM     18  C   LIG    1        0.240  -0.077   1.957  0.00  0.00    +0.136 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.831   1.007   1.747  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -0.658   2.032   2.738  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        0.232   2.403   2.598  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.259   0.436   1.877  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -2.574  -0.647   0.926  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -3.859  -1.296   1.266  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.095  -0.515   0.874  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -5.046   0.452  -0.148  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -6.214   1.134  -0.516  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -7.426   0.844   0.108  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.481  -0.125   1.107  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.733   0.801  -0.801  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -6.323  -0.804   1.486  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -2.625  -0.214  -0.483  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 9