REMARK  Name = BDB023076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.616  -1.188  -1.313  0.00  0.00    +0.184 C 
ATOM      2  C   LIG    1        0.502  -2.229  -1.229  0.00  0.00    +0.179 C 
ATOM      3  C   LIG    1        1.541  -1.605  -2.140  0.00  0.00    +0.195 C 
ATOM      4  C   LIG    1        1.403  -0.109  -1.812  0.00  0.00    +0.252 C 
ATOM      5  O   LIG    1        0.059   0.081  -1.264  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   4   6
ATOM      6  N   LIG    1        2.396   0.388  -0.858  0.00  0.00    -0.305 N 
ATOM      7  C   LIG    1        2.203   1.215   0.210  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1        3.388   1.456   0.867  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1        3.373   2.309   2.061  0.00  0.00    +0.203 A 
ATOM     10  N   LIG    1        2.150   2.855   2.432  0.00  0.00    -0.215 NA
ATOM     11  C   LIG    1        1.101   2.575   1.724  0.00  0.00    +0.200 A 
ATOM     12  N   LIG    1        4.391   2.606   2.811  0.00  0.00    -0.066 NA
ATOM     13  C   LIG    1        4.380   0.772   0.121  0.00  0.00    +0.033 A 
ATOM     14  N   LIG    1        1.050   1.768   0.617  0.00  0.00    -0.332 N 
ATOM     15  H   LIG    1        0.174   1.628   0.119  0.00  0.00    +0.168 HD
ATOM     16  C   LIG    1        3.755   0.157  -0.949  0.00  0.00    +0.091 A 
BRANCH  12  17
ATOM     17  O   LIG    1        5.599   2.029   2.409  0.00  0.00    -0.408 OA
ATOM     18  H   LIG    1        6.219   2.372   3.078  0.00  0.00    +0.328 HD
ENDBRANCH  12  17
ENDBRANCH   4   6
BRANCH   1  20
ATOM     19  C   LIG    1       -1.227  -1.154   1.176  0.00  0.00    +0.045 C 
ATOM     20  C   LIG    1       -1.750  -1.357  -0.255  0.00  0.00    +0.098 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.987  -0.426  -0.563  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1       -4.195  -0.692   0.387  0.00  0.00    +0.039 C 
ATOM     23  C   LIG    1       -4.344   0.299   1.510  0.00  0.00    -0.005 C 
ATOM     24  C   LIG    1       -3.778   1.516   1.471  0.00  0.00    +0.055 C 
ATOM     25 CL   LIG    1       -3.995   2.579   2.817  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1       -3.013   1.935   0.309  0.00  0.00    +0.055 C 
ATOM     27 CL   LIG    1       -2.543   3.588   0.110  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1       -2.650   1.050  -0.634  0.00  0.00    +0.001 C 
ENDBRANCH  20  21
BRANCH  20  29
ATOM     29  O   LIG    1       -2.189  -2.734  -0.334  0.00  0.00    -0.386 OA
ATOM     30  H   LIG    1       -2.714  -2.841  -1.149  0.00  0.00    +0.210 HD
ENDBRANCH  20  29
ENDBRANCH   1  20
BRANCH   2  31
ATOM     31  O   LIG    1        0.112  -3.516  -1.694  0.00  0.00    -0.386 OA
ATOM     32  H   LIG    1       -0.570  -3.828  -1.062  0.00  0.00    +0.210 HD
ENDBRANCH   2  31
BRANCH   3  33
ATOM     33  O   LIG    1        1.183  -1.861  -3.511  0.00  0.00    -0.385 OA
ATOM     34  H   LIG    1        0.931  -2.809  -3.531  0.00  0.00    +0.210 HD
ENDBRANCH   3  33
TORSDOF 7