REMARK  Name = BDB008661
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.765   0.171   0.948  0.00  0.00    +0.014 A 
ATOM      2  C   LIG    1        2.383  -0.230   2.122  0.00  0.00    +0.218 A 
ATOM      3  N   LIG    1        1.577  -0.531   3.146  0.00  0.00    -0.221 NA
ATOM      4  C   LIG    1        0.235  -0.461   3.080  0.00  0.00    +0.120 A 
ATOM      5  C   LIG    1       -0.404  -0.058   1.899  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1        0.401   0.252   0.851  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   2   7
ATOM      7  O   LIG    1        3.779  -0.295   2.166  0.00  0.00    -0.479 OA
ATOM      8  C   LIG    1        4.399  -0.704   3.368  0.00  0.00    +0.279 C 
ENDBRANCH   2   7
BRANCH   5   9
ATOM      9  C   LIG    1       -1.860  -0.019   1.899  0.00  0.00    +0.105 C 
ATOM     10  C   LIG    1       -2.383  -0.920   3.008  0.00  0.00    +0.033 C 
BRANCH   9  11
ATOM     11  N   LIG    1       -2.452  -0.550   0.635  0.00  0.00    -0.289 N 
ATOM     12  C   LIG    1       -3.358   0.318   0.022  0.00  0.00    +0.246 C 
ATOM     13  O   LIG    1       -3.457   1.486   0.598  0.00  0.00    -0.273 OA
BRANCH  12  14
ATOM     14  C   LIG    1       -4.219   0.189  -1.142  0.00  0.00    +0.217 C 
ATOM     15  O   LIG    1       -4.638   1.467  -1.597  0.00  0.00    -0.365 OA
ATOM     16  C   LIG    1       -5.790   1.907  -1.000  0.00  0.00    +0.176 C 
ATOM     17  C   LIG    1       -6.953   1.179  -1.665  0.00  0.00    +0.109 C 
ATOM     18  N   LIG    1       -6.448  -0.159  -1.940  0.00  0.00    -0.311 NA
ATOM     19  H   LIG    1       -7.193  -0.860  -2.066  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1       -5.539  -0.503  -0.834  0.00  0.00    +0.122 C 
ENDBRANCH  12  14
BRANCH  11  21
ATOM     21  C   LIG    1       -1.936  -1.813   0.251  0.00  0.00    +0.077 C 
ATOM     22  C   LIG    1       -2.619  -2.896  -0.503  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1       -1.466  -2.114  -1.137  0.00  0.00    +0.024 C 
ENDBRANCH  11  21
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   1  24
ATOM     24  C   LIG    1        2.613   0.508  -0.241  0.00  0.00    +0.042 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.309   1.817  -0.093  0.00  0.00    +0.024 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.132   2.201  -1.312  0.00  0.00    +0.108 C 
BRANCH  26  28
ATOM     27  C   LIG    1        6.150   0.557  -2.139  0.00  0.00    +0.400 C 
ATOM     28  N   LIG    1        5.121   1.395  -1.717  0.00  0.00    -0.281 N 
ATOM     29  H   LIG    1        4.226   0.419  -1.988  0.00  0.00    +0.152 HD
ATOM     30  O   LIG    1        6.035  -0.635  -2.470  0.00  0.00    -0.226 OA
BRANCH  27  32
ATOM     31  C   LIG    1        8.522   0.206  -2.645  0.00  0.00    +0.282 C 
ATOM     32  O   LIG    1        7.483   1.047  -2.222  0.00  0.00    -0.454 OA
ENDBRANCH  27  32
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 10