REMARK  Name = BDB043202
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.072   0.960   0.337  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -0.485  -0.202  -0.024  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -1.822  -0.315  -0.011  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -2.601   0.767   0.347  0.00  0.00    +0.087 A 
ATOM      5  C   LIG    1       -1.967   1.937   0.723  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1       -0.633   2.025   0.724  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.389  -1.517  -0.412  0.00  0.00    -0.310 N 
ATOM      8  C   LIG    1       -3.645  -2.009   0.166  0.00  0.00    +0.138 C 
ATOM      9  C   LIG    1       -3.521  -3.462   0.686  0.00  0.00    +0.133 C 
ATOM     10  C   LIG    1       -2.738  -3.544   1.995  0.00  0.00    +0.039 C 
ATOM     11  O   LIG    1       -2.951  -4.396  -0.245  0.00  0.00    -0.371 OA
ATOM     12  C   LIG    1       -2.274  -3.788  -1.358  0.00  0.00    +0.133 C 
ATOM     13  C   LIG    1       -1.364  -4.845  -1.970  0.00  0.00    +0.039 C 
ATOM     14  C   LIG    1       -1.474  -2.540  -0.942  0.00  0.00    +0.138 C 
ENDBRANCH   3   7
BRANCH   1  15
ATOM     15  N   LIG    1        1.452   1.155   0.339  0.00  0.00    -0.284 N 
ATOM     16  H   LIG    1        1.623   2.121   0.581  0.00  0.00    +0.155 HD
BRANCH  15  20
ATOM     17  C   LIG    1        4.869  -1.141  -0.641  0.00  0.00    +0.059 A 
ATOM     18  C   LIG    1        4.981   0.198  -0.254  0.00  0.00    +0.017 A 
ATOM     19  C   LIG    1        3.833   0.935   0.064  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1        2.551   0.364   0.002  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        2.459  -0.977  -0.382  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        3.600  -1.724  -0.702  0.00  0.00    +0.017 A 
BRANCH  17  23
ATOM     23  C   LIG    1        6.049  -1.977  -0.992  0.00  0.00    +0.339 C 
ATOM     24  O   LIG    1        5.971  -3.147  -1.333  0.00  0.00    -0.245 OA
BRANCH  23  26
ATOM     25  C   LIG    1        8.375  -1.999  -1.198  0.00  0.00    +0.280 C 
ATOM     26  O   LIG    1        7.196  -1.260  -0.877  0.00  0.00    -0.464 OA
ENDBRANCH  23  26
ENDBRANCH  17  23
ENDBRANCH  15  20
ENDBRANCH   1  15
BRANCH   5  27
ATOM     27  N   LIG    1       -2.776   3.044   1.076  0.00  0.00    -0.283 N 
ATOM     28  H   LIG    1       -3.552   2.745   1.650  0.00  0.00    +0.155 HD
BRANCH  27  29
ATOM     29  C   LIG    1       -2.415   4.346   1.156  0.00  0.00    +0.146 A 
ATOM     30  N   LIG    1       -1.388   4.952   0.556  0.00  0.00    -0.158 NA
ATOM     31  N   LIG    1       -1.478   6.233   0.932  0.00  0.00    -0.280 N 
ATOM     32  H   LIG    1       -0.776   6.880   0.590  0.00  0.00    +0.189 HD
ATOM     33  C   LIG    1       -2.546   6.494   1.742  0.00  0.00    +0.035 A 
ATOM     34  C   LIG    1       -2.838   7.846   2.262  0.00  0.00    +0.065 C 
ATOM     35  C   LIG    1       -3.180   5.281   1.900  0.00  0.00    +0.068 A 
ENDBRANCH  27  29
ENDBRANCH   5  27
TORSDOF 7