REMARK  Name = BDB022925
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.476   0.882   3.224  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -1.096   0.400   2.775  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -1.080  -0.626   1.713  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -2.029  -1.652   1.749  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -1.807  -2.731   2.292  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        0.276  -1.134   1.473  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        1.277  -0.034   1.213  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        1.024   1.250   1.659  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        2.002   2.173   1.374  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        3.146   1.871   0.734  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        3.320   0.597   0.364  0.00  0.00    +0.216 A 
ATOM     12  N   LIG    1        2.418  -0.369   0.570  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1       -0.263   1.624   2.328  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -3.315  -1.350   0.965  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -2.979  -1.131  -0.537  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -4.075  -1.730  -1.442  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -4.214  -3.179  -1.249  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -5.409  -3.685  -1.918  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -4.140  -3.611   0.153  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -4.347  -2.477   1.156  0.00  0.00    +0.029 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -2.730   0.334  -0.873  0.00  0.00    -0.039 A 
ATOM     22  C   LIG    1       -1.484   0.735  -1.368  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -1.266   2.078  -1.632  0.00  0.00    +0.111 A 
ATOM     24  N   LIG    1       -2.195   3.039  -1.446  0.00  0.00    -0.263 NA
ATOM     25  C   LIG    1       -3.399   2.634  -0.992  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1       -3.711   1.315  -0.695  0.00  0.00    +0.023 A 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  27
ATOM     27  N   LIG    1        4.479   0.195  -0.286  0.00  0.00    -0.310 N 
ATOM     28  H   LIG    1        4.242  -0.697  -0.709  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1        5.093   1.182  -1.172  0.00  0.00    +0.077 C 
ATOM     30  C   LIG    1        6.071   2.081  -0.397  0.00  0.00    +0.050 C 
ATOM     31  C   LIG    1        7.507   1.626  -0.598  0.00  0.00    +0.161 C 
ATOM     32  O   LIG    1        7.906   1.675  -1.969  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1        6.892   1.323  -2.908  0.00  0.00    +0.161 C 
ATOM     34  C   LIG    1        5.808   0.441  -2.313  0.00  0.00    +0.050 C 
ENDBRANCH  27  29
ENDBRANCH  11  27
TORSDOF 4