REMARK  Name = BDB007074
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.315   0.681   1.111  0.00  0.00    +0.140 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.733   0.112   0.984  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -2.606   0.162   2.093  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1       -3.932  -0.300   2.062  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -4.378  -0.888   0.861  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -5.695  -1.366   0.797  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -6.527  -1.257   1.903  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -6.010  -0.676   3.042  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1       -3.513  -1.010  -0.236  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.748  -0.208   3.139  0.00  0.00    -0.251 NA
ATOM     11  C   LIG    1       -2.205  -0.528  -0.167  0.00  0.00    +0.010 A 
BRANCH   3  12
ATOM     12  O   LIG    1       -2.119   0.651   3.290  0.00  0.00    -0.504 OA
ATOM     13  H   LIG    1       -1.271   0.187   3.433  0.00  0.00    +0.292 HD
ENDBRANCH   3  12
ENDBRANCH   1   2
BRANCH   1  17
ATOM     14  C   LIG    1        1.716   2.473  -2.353  0.00  0.00    +0.165 A 
ATOM     15  C   LIG    1        2.451   2.047  -1.238  0.00  0.00    +0.204 A 
ATOM     16  C   LIG    1        1.806   1.536  -0.093  0.00  0.00    +0.170 A 
ATOM     17  C   LIG    1        0.415   1.293  -0.098  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1       -0.305   1.788  -1.203  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        0.330   2.358  -2.316  0.00  0.00    +0.050 A 
BRANCH  14  21
ATOM     20  C   LIG    1        1.709   3.479  -4.515  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        2.437   2.983  -3.400  0.00  0.00    -0.491 OA
ENDBRANCH  14  21
BRANCH  15  22
ATOM     22  O   LIG    1        3.821   2.182  -1.255  0.00  0.00    -0.488 OA
ATOM     23  C   LIG    1        4.411   0.966  -1.717  0.00  0.00    +0.277 C 
ENDBRANCH  15  22
BRANCH  16  24
ATOM     24  O   LIG    1        2.513   1.243   1.053  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1        3.248   2.361   1.556  0.00  0.00    +0.277 C 
ENDBRANCH  16  24
ENDBRANCH   1  17
BRANCH   1  26
ATOM     26  N   LIG    1        0.491  -0.236   1.936  0.00  0.00    -0.317 N 
ATOM     27  H   LIG    1        1.332   0.261   2.238  0.00  0.00    +0.148 HD
BRANCH  26  28
ATOM     28  C   LIG    1        0.952  -1.448   1.383  0.00  0.00    +0.138 A 
ATOM     29  C   LIG    1        1.840  -2.245   2.128  0.00  0.00    +0.082 A 
ATOM     30 CL   LIG    1        2.415  -1.753   3.683  0.00  0.00    -0.080 Cl
ATOM     31  C   LIG    1        2.295  -3.454   1.608  0.00  0.00    +0.045 A 
ATOM     32  C   LIG    1        1.857  -3.856   0.353  0.00  0.00    +0.063 A 
ATOM     33 CL   LIG    1        2.427  -5.351  -0.285  0.00  0.00    -0.082 Cl
ATOM     34  C   LIG    1        0.976  -3.030  -0.343  0.00  0.00    +0.059 A 
ATOM     35  C   LIG    1        0.460  -3.393  -1.704  0.00  0.00    +0.067 C 
ATOM     36  N   LIG    1        0.528  -1.849   0.165  0.00  0.00    -0.234 NA
ENDBRANCH  26  28
ENDBRANCH   1  26
TORSDOF 8