REMARK  Name = BDB023017
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.911  -1.669   2.639  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -1.025  -1.614   1.107  0.00  0.00    +0.079 C 
ATOM      3  N   LIG    1       -1.011  -0.234   0.590  0.00  0.00    -0.277 N 
ATOM      4  C   LIG    1       -2.152   0.544   0.763  0.00  0.00    +0.306 C 
ATOM      5  N   LIG    1       -3.298   0.097   0.132  0.00  0.00    -0.276 N 
ATOM      6  C   LIG    1       -4.577   0.789   0.391  0.00  0.00    +0.122 C 
ATOM      7  C   LIG    1       -5.749  -0.249   0.382  0.00  0.00    +0.111 C 
ATOM      8  N   LIG    1       -5.769  -1.167  -0.786  0.00  0.00    -0.302 NA
ATOM      9  C   LIG    1       -6.822  -2.168  -0.643  0.00  0.00    +0.105 C 
ATOM     10  C   LIG    1       -4.450  -1.801  -0.969  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1       -3.310  -0.770  -1.052  0.00  0.00    +0.125 C 
ATOM     12  O   LIG    1       -2.121   1.559   1.457  0.00  0.00    -0.252 OA
ATOM     13  C   LIG    1        0.252   0.481   0.789  0.00  0.00    +0.165 C 
ATOM     14  C   LIG    1        1.477  -0.346   0.465  0.00  0.00    +0.067 A 
ATOM     15  C   LIG    1        1.384  -1.721   0.339  0.00  0.00    -0.005 A 
ATOM     16  C   LIG    1        2.567  -2.367   0.065  0.00  0.00    +0.120 A 
ATOM     17  N   LIG    1        3.751  -1.739  -0.049  0.00  0.00    -0.223 NA
ATOM     18  C   LIG    1        3.752  -0.413   0.115  0.00  0.00    +0.216 A 
ATOM     19  N   LIG    1        2.655   0.311   0.362  0.00  0.00    -0.218 NA
ATOM     20  C   LIG    1        0.074  -2.445   0.420  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   6  21
ATOM     21  C   LIG    1       -4.786   2.007  -0.513  0.00  0.00    -0.026 A 
ATOM     22  C   LIG    1       -4.282   3.257  -0.111  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.448   4.396  -0.903  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.121   4.308  -2.117  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.625   3.081  -2.538  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.458   1.941  -1.745  0.00  0.00    +0.005 A 
ENDBRANCH   6  21
BRANCH  18  27
ATOM     27  N   LIG    1        4.929   0.324   0.028  0.00  0.00    -0.311 N 
ATOM     28  H   LIG    1        4.583   1.270  -0.120  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1        5.910  -0.151  -0.942  0.00  0.00    +0.076 C 
ATOM     30  C   LIG    1        6.729   1.055  -1.445  0.00  0.00    +0.045 C 
ATOM     31  C   LIG    1        7.522   1.754  -0.348  0.00  0.00    +0.167 C 
ATOM     32  S   LIG    1        8.655   0.644   0.452  0.00  0.00    -0.031 S 
ATOM     33  O   LIG    1        9.113   1.273   1.675  0.00  0.00    -0.174 OA
ATOM     34  O   LIG    1        9.605   0.187  -0.545  0.00  0.00    -0.174 OA
ATOM     35  C   LIG    1        7.610  -0.726   0.885  0.00  0.00    +0.167 C 
ATOM     36  C   LIG    1        6.825  -1.224  -0.321  0.00  0.00    +0.045 C 
ENDBRANCH  27  29
ENDBRANCH  18  27
TORSDOF 3