REMARK  Name = BDB035349
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.284  -1.361  -0.528  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1        0.001  -1.865  -0.602  0.00  0.00    -0.267 N 
ATOM      3  C   LIG    1        1.190  -1.426  -0.066  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1        2.237  -2.386  -0.351  0.00  0.00    -0.012 A 
ATOM      5  C   LIG    1        3.502  -2.182   0.037  0.00  0.00    +0.076 A 
ATOM      6  C   LIG    1        3.852  -0.934   0.771  0.00  0.00    +0.252 A 
ATOM      7  N   LIG    1        2.811  -0.027   0.969  0.00  0.00    -0.309 N 
ATOM      8  O   LIG    1        5.012  -0.768   1.139  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1        1.654  -3.529  -1.150  0.00  0.00    +0.008 C 
ATOM     10  C   LIG    1        2.468  -3.869  -2.403  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        1.504  -4.777  -0.267  0.00  0.00    +0.017 C 
ATOM     12  C   LIG    1        1.512  -0.276   0.537  0.00  0.00    +0.113 A 
ATOM     13  C   LIG    1        0.270  -2.966  -1.536  0.00  0.00    +0.124 C 
ATOM     14  O   LIG    1       -2.107  -1.602  -1.425  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  15
ATOM     15  C   LIG    1       -1.763  -0.624   0.750  0.00  0.00    +0.165 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -2.282   1.685   0.026  0.00  0.00    +0.230 C 
ATOM     17  N   LIG    1       -2.707   0.397   0.282  0.00  0.00    -0.302 N 
ATOM     18  H   LIG    1       -3.459   0.047  -0.303  0.00  0.00    +0.150 HD
ATOM     19  O   LIG    1       -1.163   2.094   0.336  0.00  0.00    -0.274 OA
BRANCH  16  20
ATOM     20  C   LIG    1       -3.316   2.556  -0.727  0.00  0.00    +0.137 C 
ATOM     21  C   LIG    1       -3.040   2.414  -2.223  0.00  0.00    +0.034 C 
BRANCH  20  23
ATOM     22  C   LIG    1       -4.103   4.874  -0.881  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1       -3.220   3.934  -0.214  0.00  0.00    -0.309 NA
ATOM     24  H   LIG    1       -2.248   4.243  -0.285  0.00  0.00    +0.122 HD
ENDBRANCH  20  23
ENDBRANCH  16  20
ENDBRANCH  15  17
BRANCH  15  25
ATOM     25  C   LIG    1       -2.415  -1.585   1.799  0.00  0.00    -0.011 C 
ATOM     26  C   LIG    1       -2.882  -0.758   3.018  0.00  0.00    +0.013 C 
ATOM     27  C   LIG    1       -1.383  -2.613   2.303  0.00  0.00    +0.013 C 
ATOM     28  C   LIG    1       -3.630  -2.349   1.241  0.00  0.00    +0.013 C 
ENDBRANCH  15  25
ENDBRANCH   1  15
BRANCH   7  29
ATOM     29  C   LIG    1        3.113   1.258   1.599  0.00  0.00    +0.160 C 
BRANCH  29  30
ATOM     30  C   LIG    1        3.352   2.353   0.582  0.00  0.00    -0.027 A 
ATOM     31  C   LIG    1        2.316   3.230   0.218  0.00  0.00    +0.008 A 
ATOM     32  C   LIG    1        2.536   4.224  -0.737  0.00  0.00    +0.038 A 
ATOM     33  C   LIG    1        3.787   4.341  -1.330  0.00  0.00    +0.123 A 
ATOM     34  F   LIG    1        3.995   5.294  -2.248  0.00  0.00    -0.205 F 
ATOM     35  C   LIG    1        4.824   3.481  -0.989  0.00  0.00    +0.038 A 
ATOM     36  C   LIG    1        4.606   2.485  -0.036  0.00  0.00    +0.008 A 
ENDBRANCH  29  30
ENDBRANCH   7  29
TORSDOF 7