REMARK  Name = BDB022933
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.023  -1.814   0.265  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1        0.056  -1.049  -0.186  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1        0.004  -0.163  -1.363  0.00  0.00    +0.078 C 
ATOM      4  C   LIG    1        0.228  -0.948  -2.661  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        0.988   1.009  -1.212  0.00  0.00    +0.060 C 
ATOM      6  C   LIG    1        2.344   0.570  -0.764  0.00  0.00    -0.005 A 
ATOM      7  C   LIG    1        2.537  -0.610  -0.074  0.00  0.00    +0.067 A 
ATOM      8  N   LIG    1        3.759  -1.000   0.359  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        4.805  -0.191   0.119  0.00  0.00    +0.220 A 
ATOM     10  N   LIG    1        4.695   0.978  -0.528  0.00  0.00    -0.222 NA
ATOM     11  C   LIG    1        3.470   1.337  -0.950  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        1.385  -1.549   0.200  0.00  0.00    +0.163 C 
ATOM     13  O   LIG    1       -0.839  -2.797   0.985  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1       -2.809  -0.099   0.717  0.00  0.00    +0.045 C 
ATOM     15  C   LIG    1       -2.444  -1.361  -0.104  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1       -3.447  -2.514   0.087  0.00  0.00    +0.029 C 
ATOM     17  C   LIG    1       -3.868  -2.734   1.539  0.00  0.00    +0.085 C 
ATOM     18  N   LIG    1       -4.387  -1.493   2.122  0.00  0.00    -0.305 NA
ATOM     19  C   LIG    1       -4.873  -1.733   3.481  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1       -3.349  -0.451   2.125  0.00  0.00    +0.093 C 
BRANCH  14  24
ATOM     21  C   LIG    1       -7.288   1.125  -1.354  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -5.859   1.470  -1.054  0.00  0.00    -0.050 A 
ATOM     23  C   LIG    1       -5.055   0.576  -0.331  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -3.709   0.861  -0.060  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -3.180   2.073  -0.532  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -3.967   2.962  -1.265  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -5.300   2.658  -1.532  0.00  0.00    +0.003 A 
ENDBRANCH  14  24
ENDBRANCH   1  15
BRANCH   9  28
ATOM     28  N   LIG    1        6.030  -0.659   0.597  0.00  0.00    -0.281 N 
ATOM     29  H   LIG    1        5.852  -1.549   1.046  0.00  0.00    +0.155 HD
BRANCH  28  30
ATOM     30  C   LIG    1        7.272  -0.141   0.549  0.00  0.00    +0.071 A 
ATOM     31  C   LIG    1        7.699   1.039  -0.007  0.00  0.00    +0.131 A 
ATOM     32  N   LIG    1        9.044   1.095   0.214  0.00  0.00    -0.273 N 
ATOM     33  C   LIG    1        9.944   2.149  -0.186  0.00  0.00    +0.172 C 
ATOM     34  N   LIG    1        9.527   0.027   0.878  0.00  0.00    -0.178 NA
ATOM     35  C   LIG    1        8.441  -0.725   1.082  0.00  0.00    +0.157 A 
ENDBRANCH  28  30
ENDBRANCH   9  28
TORSDOF 4