REMARK  Name = BDB007070
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.045  -0.568  -0.085  0.00  0.00    +0.140 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.772   0.772  -0.205  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -1.433   1.153  -1.391  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1       -2.082   2.392  -1.542  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -2.074   3.267  -0.435  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -2.715   4.508  -0.556  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -3.343   4.853  -1.745  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -3.313   3.938  -2.776  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1       -1.443   2.899   0.762  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -2.709   2.734  -2.694  0.00  0.00    -0.251 NA
ATOM     11  C   LIG    1       -0.805   1.665   0.877  0.00  0.00    +0.010 A 
BRANCH   3  12
ATOM     12  O   LIG    1       -1.459   0.289  -2.467  0.00  0.00    -0.504 OA
ATOM     13  H   LIG    1       -1.645  -0.609  -2.119  0.00  0.00    +0.292 HD
ENDBRANCH   3  12
ENDBRANCH   1   2
BRANCH   1  17
ATOM     14  C   LIG    1        3.935  -0.207   1.721  0.00  0.00    +0.165 A 
ATOM     15  C   LIG    1        3.636   0.410   0.499  0.00  0.00    +0.204 A 
ATOM     16  C   LIG    1        2.371   0.255  -0.095  0.00  0.00    +0.170 A 
ATOM     17  C   LIG    1        1.347  -0.453   0.562  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        1.662  -1.058   1.793  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        2.937  -0.941   2.363  0.00  0.00    +0.050 A 
BRANCH  14  21
ATOM     20  C   LIG    1        5.583  -0.766   3.351  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        5.204  -0.018   2.205  0.00  0.00    -0.491 OA
ENDBRANCH  14  21
BRANCH  15  22
ATOM     22  O   LIG    1        4.614   1.133  -0.145  0.00  0.00    -0.488 OA
ATOM     23  C   LIG    1        4.487   2.515   0.186  0.00  0.00    +0.277 C 
ENDBRANCH  15  22
BRANCH  16  24
ATOM     24  O   LIG    1        2.080   0.854  -1.296  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1        2.743   0.197  -2.378  0.00  0.00    +0.277 C 
ENDBRANCH  16  24
ENDBRANCH   1  17
BRANCH   1  26
ATOM     26  N   LIG    1       -0.896  -1.494   0.685  0.00  0.00    -0.318 N 
ATOM     27  H   LIG    1       -1.331  -1.017   1.467  0.00  0.00    +0.148 HD
BRANCH  26  28
ATOM     28  C   LIG    1       -1.862  -2.231  -0.007  0.00  0.00    +0.120 A 
ATOM     29  N   LIG    1       -1.962  -2.155  -1.349  0.00  0.00    -0.239 NA
ATOM     30  C   LIG    1       -2.896  -2.936  -1.956  0.00  0.00    +0.133 A 
ATOM     31  C   LIG    1       -3.749  -3.801  -1.290  0.00  0.00    +0.062 A 
ATOM     32 CL   LIG    1       -4.885  -4.729  -2.191  0.00  0.00    -0.082 Cl
ATOM     33  C   LIG    1       -3.645  -3.886   0.097  0.00  0.00    -0.027 A 
ATOM     34  C   LIG    1       -4.513  -4.800   0.911  0.00  0.00    +0.045 C 
ATOM     35  C   LIG    1       -2.680  -3.089   0.733  0.00  0.00    +0.048 A 
ENDBRANCH  26  28
ENDBRANCH   1  26
TORSDOF 8