REMARK  Name = BDB032485
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.805  -1.243   1.424  0.00  0.00    -0.024 A 
ATOM      2  C   LIG    1       -0.341  -0.447   1.492  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -1.546  -0.977   1.056  0.00  0.00    +0.215 A 
ATOM      4  N   LIG    1       -1.681  -2.220   0.554  0.00  0.00    -0.221 NA
ATOM      5  C   LIG    1       -0.561  -2.973   0.490  0.00  0.00    +0.115 A 
ATOM      6  C   LIG    1        0.686  -2.536   0.906  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        2.146  -0.718   1.875  0.00  0.00    +0.137 C 
BRANCH   7   8
ATOM      8  N   LIG    1        2.993  -0.527   0.706  0.00  0.00    -0.339 N 
ATOM      9  H   LIG    1        2.483  -0.072  -0.047  0.00  0.00    +0.146 HD
BRANCH   8  13
ATOM     10  C   LIG    1        7.033   1.248  -1.407  0.00  0.00    +0.124 A 
ATOM     11  C   LIG    1        6.339   0.902  -0.220  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1        5.034   0.358  -0.339  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        4.285   0.023   0.835  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1        4.906   0.154   2.087  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        6.189   0.680   2.207  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1        4.537   0.163  -1.642  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1        5.303   0.528  -2.733  0.00  0.00    +0.113 A 
ATOM     18  C   LIG    1        6.891   1.062   1.070  0.00  0.00    +0.012 A 
ATOM     19  N   LIG    1        6.527   1.072  -2.639  0.00  0.00    -0.240 NA
BRANCH  10  20
ATOM     20  N   LIG    1        8.325   1.798  -1.366  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1        8.306   2.659  -0.829  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        8.952   1.141  -0.914  0.00  0.00    +0.144 HD
ENDBRANCH  10  20
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   3  23
ATOM     23  O   LIG    1       -2.640  -0.139   1.135  0.00  0.00    -0.476 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -3.890  -0.749   0.797  0.00  0.00    +0.234 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.164  -0.679  -0.719  0.00  0.00    +0.035 C 
ATOM     26  C   LIG    1       -5.556  -1.243  -1.050  0.00  0.00    +0.081 C 
ATOM     27  C   LIG    1       -6.642  -0.256  -0.777  0.00  0.00    +0.110 A 
ATOM     28  N   LIG    1       -6.397   1.091  -0.684  0.00  0.00    -0.334 N 
ATOM     29  C   LIG    1       -7.583   1.724  -0.460  0.00  0.00    +0.107 A 
ATOM     30  C   LIG    1       -8.517   0.715  -0.427  0.00  0.00    +0.130 A 
ATOM     31  C   LIG    1       -5.085   1.700  -0.743  0.00  0.00    +0.123 C 
ATOM     32  N   LIG    1       -7.924  -0.507  -0.622  0.00  0.00    -0.241 NA
ATOM     33  C   LIG    1       -4.025   0.746  -1.294  0.00  0.00    +0.029 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7