REMARK  Name = BDB023070
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.244   1.883   1.109  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.722   2.473   0.072  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -2.072   2.252   0.723  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -1.891   0.941   1.492  0.00  0.00    +0.188 C 
ATOM      5  O   LIG    1       -0.491   0.895   1.881  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1        5.012  -1.757  -0.171  0.00  0.00    -0.064 NA
ATOM      7  C   LIG    1        3.976  -1.333   0.486  0.00  0.00    +0.203 A 
ATOM      8  C   LIG    1        3.168  -0.148   0.175  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1        3.211   0.891  -0.789  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        2.154   1.748  -0.537  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1        1.433   1.255   0.531  0.00  0.00    -0.305 N 
ATOM     12  C   LIG    1        2.077   0.134   0.966  0.00  0.00    +0.125 A 
ATOM     13  N   LIG    1        1.750  -0.634   2.018  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1        0.963  -0.416   2.625  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1        2.555  -1.713   2.273  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1        3.594  -2.084   1.593  0.00  0.00    -0.215 NA
BRANCH   6  17
ATOM     17  O   LIG    1        5.346  -0.968  -1.279  0.00  0.00    -0.392 OA
BRANCH  17  19
ATOM     18  C   LIG    1        6.034  -2.639  -2.881  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1        6.478  -1.542  -1.931  0.00  0.00    +0.259 C 
ENDBRANCH  17  19
ENDBRANCH   6  17
ENDBRANCH   1  11
BRANCH   2  20
ATOM     20  O   LIG    1       -0.502   3.865  -0.182  0.00  0.00    -0.385 OA
ATOM     21  H   LIG    1       -0.672   4.330   0.660  0.00  0.00    +0.210 HD
ENDBRANCH   2  20
BRANCH   3  22
ATOM     22  O   LIG    1       -2.302   3.325   1.658  0.00  0.00    -0.386 OA
ATOM     23  H   LIG    1       -2.824   3.999   1.182  0.00  0.00    +0.210 HD
ENDBRANCH   3  22
BRANCH   4  24
ATOM     24  C   LIG    1       -2.249  -0.346   0.682  0.00  0.00    +0.117 C 
ATOM     25  C   LIG    1       -2.003  -1.613   1.521  0.00  0.00    +0.049 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -3.706  -0.338   0.206  0.00  0.00    -0.012 A 
ATOM     27  C   LIG    1       -4.765  -0.193   1.123  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -6.100  -0.181   0.697  0.00  0.00    +0.060 A 
ATOM     29 CL   LIG    1       -7.323   0.011   1.903  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1       -6.401  -0.320  -0.660  0.00  0.00    +0.059 A 
ATOM     31 CL   LIG    1       -8.020  -0.311  -1.258  0.00  0.00    -0.082 Cl
ATOM     32  C   LIG    1       -5.365  -0.472  -1.581  0.00  0.00    +0.022 A 
ATOM     33  C   LIG    1       -4.034  -0.483  -1.152  0.00  0.00    +0.008 A 
ENDBRANCH  24  26
BRANCH  24  34
ATOM     34  O   LIG    1       -1.379  -0.420  -0.457  0.00  0.00    -0.382 OA
ATOM     35  H   LIG    1       -0.509  -0.743  -0.151  0.00  0.00    +0.211 HD
ENDBRANCH  24  34
ENDBRANCH   4  24
TORSDOF 8