REMARK  Name = BDB012888
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.501   0.873  -1.409  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        1.468   0.360  -0.645  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.085   0.576  -1.052  0.00  0.00    +0.117 C 
ATOM      4  C   LIG    1       -0.744   0.029   0.109  0.00  0.00    +0.057 C 
ATOM      5  C   LIG    1        0.119  -1.143   0.587  0.00  0.00    +0.030 C 
ATOM      6  C   LIG    1        1.536  -0.595   0.451  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1        2.253   1.499  -2.441  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        5.903   0.313  -0.146  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        6.119   0.690  -1.411  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        4.889   0.922  -1.893  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        4.787   1.253  -2.848  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        3.872   0.669  -1.007  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        4.518   0.294   0.154  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        7.961   1.182   1.002  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        7.044  -0.021   0.772  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        7.847  -1.222   0.268  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  C   LIG    1       -2.147  -0.352  -0.280  0.00  0.00    +0.049 A 
ATOM     18  N   LIG    1       -2.294  -1.328  -1.208  0.00  0.00    -0.237 NA
ATOM     19  C   LIG    1       -3.537  -1.680  -1.569  0.00  0.00    +0.117 A 
ATOM     20  C   LIG    1       -4.672  -1.101  -1.026  0.00  0.00    +0.052 A 
ATOM     21  C   LIG    1       -4.527  -0.094  -0.071  0.00  0.00    -0.010 A 
ATOM     22  C   LIG    1       -3.237   0.288   0.301  0.00  0.00    +0.032 A 
BRANCH  21  23
ATOM     23  C   LIG    1       -5.683   0.551   0.526  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -6.914  -0.040   0.723  0.00  0.00    +0.116 A 
ATOM     25  N   LIG    1       -7.702   0.899   1.323  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1       -9.078   0.748   1.731  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1       -7.072   2.067   1.538  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1       -5.846   1.854   1.054  0.00  0.00    +0.142 A 
ENDBRANCH  21  23
BRANCH  19  29
ATOM     29  N   LIG    1       -3.642  -2.697  -2.513  0.00  0.00    -0.343 N 
ATOM     30  H   LIG    1       -4.211  -2.417  -3.303  0.00  0.00    +0.144 HD
ATOM     31  H   LIG    1       -2.694  -2.934  -2.799  0.00  0.00    +0.144 HD
ENDBRANCH  19  29
ENDBRANCH   4  17
TORSDOF 5