REMARK  Name = BDB003846
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.125  -2.816  -1.243  0.00  0.00    -0.300 NA
ATOM      2  C   LIG    1        2.418  -1.520  -1.851  0.00  0.00    +0.102 C 
ATOM      3  C   LIG    1        2.969  -1.004  -0.500  0.00  0.00    +0.081 C 
ATOM      4  C   LIG    1        4.442  -0.486  -0.483  0.00  0.00    +0.232 C 
ATOM      5  O   LIG    1        5.452  -1.077  -0.846  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1        4.435   0.778   0.051  0.00  0.00    -0.230 N 
ATOM      7  C   LIG    1        3.202   1.166   0.512  0.00  0.00    +0.224 C 
ATOM      8  O   LIG    1        2.944   2.204   1.105  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        2.177   0.114   0.168  0.00  0.00    +0.115 C 
ATOM     10  C   LIG    1        2.719  -2.433   0.038  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        5.640   1.535   0.370  0.00  0.00    +0.170 C 
ATOM     12  C   LIG    1        6.335   0.887   1.572  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        5.756   0.171   2.388  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        7.662   1.211   1.740  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        8.122   0.795   2.539  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        8.470   1.923   0.887  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        9.659   2.094   1.139  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        7.806   2.533  -0.326  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        6.622   1.696  -0.789  0.00  0.00    +0.041 C 
ENDBRANCH   6  11
BRANCH   1  20
ATOM     20  C   LIG    1        0.698  -3.149  -1.176  0.00  0.00    +0.084 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -0.286  -2.157  -0.533  0.00  0.00    +0.015 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.718  -2.701  -0.578  0.00  0.00    +0.003 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.703  -1.720   0.059  0.00  0.00    +0.019 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.135  -2.249  -0.002  0.00  0.00    +0.107 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -5.563  -0.242  -0.040  0.00  0.00    +0.401 C 
ATOM     26  N   LIG    1       -5.066  -1.332   0.609  0.00  0.00    -0.281 N 
ATOM     27  H   LIG    1       -5.289  -1.400   1.592  0.00  0.00    +0.152 HD
ATOM     28  O   LIG    1       -5.331   0.047  -1.202  0.00  0.00    -0.226 OA
BRANCH  25  29
ATOM     29  O   LIG    1       -6.337   0.455   0.822  0.00  0.00    -0.445 OA
BRANCH  29  31
ATOM     30  C   LIG    1       -5.978   2.755   0.012  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -6.997   1.677   0.400  0.00  0.00    +0.107 C 
ATOM     32  C   LIG    1       -8.004   1.409  -0.723  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1       -7.764   2.154   1.643  0.00  0.00    +0.055 C 
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 9