REMARK  Name = BDB023060
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.108   1.155   0.878  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.617   1.276  -0.467  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -2.039   1.538  -0.011  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -2.169   0.686   1.253  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -0.833   0.585   1.816  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1        5.453  -1.325  -0.389  0.00  0.00    -0.167 NA
ATOM      7  C   LIG    1        4.548  -0.413  -0.585  0.00  0.00    +0.182 A 
ATOM      8  C   LIG    1        3.323  -0.444   0.196  0.00  0.00    +0.063 A 
ATOM      9  C   LIG    1        2.815  -1.295   1.204  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        1.575  -0.800   1.572  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1        1.302   0.317   0.806  0.00  0.00    -0.305 N 
ATOM     12  C   LIG    1        2.375   0.526  -0.011  0.00  0.00    +0.125 A 
ATOM     13  N   LIG    1        2.555   1.504  -0.917  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1        1.843   2.197  -1.148  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1        3.735   1.478  -1.626  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1        4.702   0.619  -1.513  0.00  0.00    -0.216 NA
BRANCH   6  18
ATOM     17  C   LIG    1        7.819  -1.626  -0.594  0.00  0.00    +0.148 C 
ATOM     18  N   LIG    1        6.553  -1.238  -1.191  0.00  0.00    -0.270 N 
ATOM     19  H   LIG    1        6.617  -0.314  -1.633  0.00  0.00    +0.168 HD
ENDBRANCH   6  18
ENDBRANCH   1  11
BRANCH   2  20
ATOM     20  O   LIG    1       -0.134   2.347  -1.294  0.00  0.00    -0.385 OA
ATOM     21  H   LIG    1       -0.593   2.258  -2.153  0.00  0.00    +0.210 HD
ENDBRANCH   2  20
BRANCH   3  22
ATOM     22  O   LIG    1       -2.169   2.927   0.343  0.00  0.00    -0.386 OA
ATOM     23  H   LIG    1       -1.645   3.438  -0.304  0.00  0.00    +0.210 HD
ENDBRANCH   3  22
BRANCH   4  24
ATOM     24  C   LIG    1       -2.694  -0.748   1.018  0.00  0.00    +0.176 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.142  -0.782   0.568  0.00  0.00    -0.015 A 
ATOM     26  C   LIG    1       -4.507  -1.144  -0.740  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1       -5.850  -1.158  -1.138  0.00  0.00    +0.060 A 
ATOM     28 CL   LIG    1       -6.199  -1.604  -2.770  0.00  0.00    -0.082 Cl
ATOM     29  C   LIG    1       -6.849  -0.812  -0.225  0.00  0.00    +0.059 A 
ATOM     30 CL   LIG    1       -8.526  -0.802  -0.642  0.00  0.00    -0.082 Cl
ATOM     31  C   LIG    1       -6.501  -0.457   1.080  0.00  0.00    +0.022 A 
ATOM     32  C   LIG    1       -5.160  -0.443   1.473  0.00  0.00    +0.008 A 
ENDBRANCH  24  25
BRANCH  24  33
ATOM     33  O   LIG    1       -1.859  -1.427   0.076  0.00  0.00    -0.385 OA
ATOM     34  H   LIG    1       -1.074  -1.727   0.573  0.00  0.00    +0.210 HD
ENDBRANCH  24  33
ENDBRANCH   4  24
TORSDOF 7