REMARK  Name = BDB007067
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.287  -0.167   0.770  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.696   1.228   0.297  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.600   1.645  -1.040  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1       -0.958   2.924  -1.467  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -1.440   3.833  -0.507  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -1.798   5.116  -0.944  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -1.669   5.449  -2.288  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -1.183   4.487  -3.154  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1       -1.548   3.444   0.838  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -0.826   3.239  -2.774  0.00  0.00    -0.251 NA
ATOM     11  C   LIG    1       -1.179   2.156   1.233  0.00  0.00    +0.010 A 
BRANCH   3  12
ATOM     12  O   LIG    1       -0.134   0.765  -1.998  0.00  0.00    -0.504 OA
ATOM     13  H   LIG    1       -0.141   1.298  -2.824  0.00  0.00    +0.292 HD
ENDBRANCH   3  12
ENDBRANCH   1   2
BRANCH   1  17
ATOM     14  C   LIG    1        3.992  -0.930   1.248  0.00  0.00    +0.162 A 
ATOM     15  C   LIG    1        3.052  -1.966   1.399  0.00  0.00    +0.162 A 
ATOM     16  C   LIG    1        1.689  -1.689   1.234  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1        1.228  -0.397   0.903  0.00  0.00    -0.019 A 
ATOM     18  C   LIG    1        2.182   0.621   0.771  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        3.547   0.357   0.936  0.00  0.00    +0.050 A 
BRANCH  14  21
ATOM     20  C   LIG    1        6.285  -0.262   1.240  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        5.308  -1.275   1.429  0.00  0.00    -0.491 OA
ENDBRANCH  14  21
BRANCH  15  22
ATOM     22  O   LIG    1        3.560  -3.203   1.714  0.00  0.00    -0.491 OA
ATOM     23  C   LIG    1        2.646  -4.289   1.777  0.00  0.00    +0.277 C 
ENDBRANCH  15  22
ENDBRANCH   1  17
BRANCH   1  24
ATOM     24  N   LIG    1       -0.832  -1.199  -0.122  0.00  0.00    -0.318 N 
ATOM     25  H   LIG    1       -0.603  -0.933  -1.080  0.00  0.00    +0.148 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -2.199  -1.478  -0.013  0.00  0.00    +0.122 A 
ATOM     27  C   LIG    1       -2.802  -2.324  -0.960  0.00  0.00    -0.009 A 
ATOM     28  C   LIG    1       -2.026  -2.898  -2.112  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1       -4.167  -2.623  -0.829  0.00  0.00    +0.028 A 
ATOM     30  C   LIG    1       -4.881  -2.103   0.239  0.00  0.00    +0.059 A 
ATOM     31 CL   LIG    1       -6.550  -2.450   0.433  0.00  0.00    -0.082 Cl
ATOM     32  C   LIG    1       -4.208  -1.305   1.142  0.00  0.00    +0.132 A 
ATOM     33  N   LIG    1       -2.894  -0.994   1.042  0.00  0.00    -0.239 NA
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 7