REMARK  Name = BDB001624
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.418  -1.716   0.536  0.00  0.00    +0.343 C 
ATOM      2  O   LIG    1        1.008  -2.769   0.332  0.00  0.00    -0.245 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.580  -1.169  -0.371  0.00  0.00    +0.102 A 
ATOM      4  C   LIG    1       -1.242   0.056  -0.317  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -1.137   1.180   0.651  0.00  0.00    +0.066 C 
ATOM      6  N   LIG    1       -2.114   0.056  -1.382  0.00  0.00    -0.263 N 
ATOM      7  N   LIG    1       -2.014  -1.047  -2.149  0.00  0.00    -0.175 NA
ATOM      8  C   LIG    1       -1.094  -1.798  -1.539  0.00  0.00    +0.074 A 
ATOM      9  C   LIG    1       -0.733  -3.125  -2.103  0.00  0.00    +0.068 C 
BRANCH   6  10
ATOM     10  C   LIG    1       -3.072   1.089  -1.775  0.00  0.00    +0.179 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -4.258   1.161  -0.842  0.00  0.00    -0.026 A 
ATOM     12  C   LIG    1       -4.602   2.372  -0.222  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -5.707   2.445   0.628  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -6.485   1.313   0.861  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -6.163   0.108   0.241  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.059   0.033  -0.609  0.00  0.00    +0.005 A 
ENDBRANCH  10  11
ENDBRANCH   6  10
ENDBRANCH   1   3
BRANCH   1  17
ATOM     17  O   LIG    1        0.640  -0.930   1.632  0.00  0.00    -0.452 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.609  -1.443   2.548  0.00  0.00    +0.328 C 
BRANCH  18  21
ATOM     19  N   LIG    1        3.180  -0.076   1.311  0.00  0.00    -0.265 N 
ATOM     20  H   LIG    1        2.357   0.443   1.034  0.00  0.00    +0.156 HD
ATOM     21  C   LIG    1        3.057  -1.173   2.133  0.00  0.00    +0.256 C 
ATOM     22  O   LIG    1        3.983  -1.852   2.568  0.00  0.00    -0.272 OA
BRANCH  19  27
ATOM     23  C   LIG    1        7.889   0.887  -0.076  0.00  0.00    +0.089 C 
ATOM     24  C   LIG    1        6.448   0.786   0.211  0.00  0.00    +0.136 A 
ATOM     25  O   LIG    1        5.649   1.730  -0.351  0.00  0.00    -0.358 OA
ATOM     26  N   LIG    1        4.336   1.494   0.012  0.00  0.00    -0.063 NA
ATOM     27  C   LIG    1        4.358   0.408   0.791  0.00  0.00    +0.168 A 
ATOM     28  C   LIG    1        5.675  -0.076   0.948  0.00  0.00    +0.091 A 
ENDBRANCH  19  27
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 7