REMARK  Name = BDB058074
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.424  -0.491   1.627  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.214  -1.942   1.171  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        0.955  -2.367   2.036  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        1.802  -1.098   2.084  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.860   0.006   2.074  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  12
ATOM      6  C   LIG    1       -5.261   0.107  -2.636  0.00  0.00    +0.240 C 
ATOM      7  N   LIG    1       -4.180   0.060  -1.701  0.00  0.00    -0.288 N 
ATOM      8  C   LIG    1       -3.385   1.145  -1.929  0.00  0.00    +0.143 A 
ATOM      9  C   LIG    1       -2.245   1.172  -1.059  0.00  0.00    +0.061 A 
ATOM     10  C   LIG    1       -2.094   0.132  -0.148  0.00  0.00    +0.148 A 
ATOM     11  N   LIG    1       -2.908  -0.956   0.034  0.00  0.00    -0.219 NA
ATOM     12  N   LIG    1       -0.940   0.372   0.564  0.00  0.00    -0.303 N 
ATOM     13  C   LIG    1       -0.390   1.561   0.132  0.00  0.00    +0.091 A 
ATOM     14  C   LIG    1       -1.173   2.069  -0.885  0.00  0.00    +0.033 A 
ATOM     15  N   LIG    1       -3.686   2.017  -2.845  0.00  0.00    -0.262 NA
ATOM     16  C   LIG    1       -3.931  -0.926  -0.782  0.00  0.00    +0.205 A 
ATOM     17  C   LIG    1       -4.973   1.450  -3.376  0.00  0.00    +0.198 C 
BRANCH   6  18
ATOM     18  O   LIG    1       -5.203  -1.009  -3.507  0.00  0.00    -0.370 OA
ATOM     19  H   LIG    1       -5.771  -0.812  -4.270  0.00  0.00    +0.212 HD
ENDBRANCH   6  18
ENDBRANCH   1  12
BRANCH   2  20
ATOM     20  O   LIG    1       -1.335  -2.801   1.403  0.00  0.00    -0.385 OA
ATOM     21  H   LIG    1       -2.086  -2.375   0.930  0.00  0.00    +0.210 HD
ENDBRANCH   2  20
BRANCH   3  22
ATOM     22  O   LIG    1        0.464  -2.687   3.351  0.00  0.00    -0.386 OA
ATOM     23  H   LIG    1       -0.342  -3.222   3.192  0.00  0.00    +0.210 HD
ENDBRANCH   3  22
BRANCH   4  24
ATOM     24  C   LIG    1        2.755  -0.959   0.870  0.00  0.00    +0.176 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.732   0.196   1.012  0.00  0.00    -0.017 A 
ATOM     26  C   LIG    1        3.640   1.310   0.163  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        4.539   2.372   0.286  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        5.539   2.327   1.255  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1        6.647   3.634   1.402  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1        5.646   1.229   2.105  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        4.746   0.168   1.985  0.00  0.00    +0.007 A 
ENDBRANCH  24  25
BRANCH  24  32
ATOM     32  O   LIG    1        3.494  -2.164   0.664  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1        4.307  -1.928   0.181  0.00  0.00    +0.210 HD
ENDBRANCH  24  32
ENDBRANCH   4  24
TORSDOF 7