REMARK  Name = BDB016049
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.783   2.124  -0.568  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.167   1.167  -0.520  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.461   1.540  -0.556  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -1.817   2.887  -0.607  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.770   3.789  -0.660  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.531   3.441  -0.650  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.852  -0.049   0.030  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.523   0.393  -0.046  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.189   1.686  -0.500  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.248   2.530  -0.876  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.577   2.100  -0.813  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.877   0.815  -0.364  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        5.789  -4.582   0.597  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.003  -3.383   0.758  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        4.048  -3.341   1.707  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        3.521  -2.123   1.562  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.136  -1.380   0.529  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.100  -2.231   0.032  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.180   3.361  -0.641  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.786   4.077   0.369  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.059   4.324  -0.058  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.095   5.029   0.658  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.316   3.836  -1.286  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.169   3.254  -1.642  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.450   0.540  -0.431  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -3.231   0.760  -1.045  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -2.000  -0.839  -0.635  0.00  0.00    +0.104 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.454  -1.435   0.667  0.00  0.00    +0.041 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -0.646  -2.710   0.453  0.00  0.00    +0.167 C 
BRANCH  29  30
ATOM     30  S   LIG    1       -1.590  -4.130  -0.073  0.00  0.00    -0.034 S 
ATOM     31  O   LIG    1       -2.341  -3.776  -1.261  0.00  0.00    -0.175 OA
ATOM     32  O   LIG    1       -0.688  -5.266  -0.093  0.00  0.00    -0.175 OA
ATOM     33  C   LIG    1       -2.749  -4.408   1.246  0.00  0.00    +0.194 C 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 8