REMARK  Name = BDB028872
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.019  -2.966   0.916  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        0.138  -1.750   0.278  0.00  0.00    +0.163 A 
ATOM      3  N   LIG    1       -1.116  -1.143   0.262  0.00  0.00    -0.200 N 
ATOM      4  C   LIG    1       -1.313   0.125  -0.338  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1       -0.243   0.726  -0.886  0.00  0.00    +0.087 A 
ATOM      6  C   LIG    1        1.084   0.019  -0.827  0.00  0.00    +0.124 A 
ATOM      7  N   LIG    1       -2.065  -1.929   0.850  0.00  0.00    -0.171 NA
ATOM      8  N   LIG    1        1.237  -1.157  -0.272  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1       -1.393  -3.012   1.239  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        1.120  -4.354   2.670  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1        1.036  -3.996   1.185  0.00  0.00    +0.018 C 
ATOM     12  C   LIG    1        0.816  -5.254   0.342  0.00  0.00    +0.012 C 
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  N   LIG    1        2.174   0.654  -1.388  0.00  0.00    -0.329 N 
ATOM     14  H   LIG    1        2.072   1.631  -1.634  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.539   0.183  -1.216  0.00  0.00    +0.109 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.105   0.597   0.158  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1        4.451   2.098   0.203  0.00  0.00    +0.133 C 
ATOM     18  C   LIG    1        5.742   2.427  -0.572  0.00  0.00    +0.112 C 
ATOM     19  N   LIG    1        6.880   1.583  -0.187  0.00  0.00    -0.314 NA
ATOM     20  H   LIG    1        7.156   1.794   0.771  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1        6.572   0.160  -0.320  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1        5.351  -0.242   0.504  0.00  0.00    +0.023 C 
BRANCH  17  23
ATOM     23  O   LIG    1        4.597   2.521   1.565  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1        5.331   2.021   1.957  0.00  0.00    +0.210 HD
ENDBRANCH  17  23
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   4  25
ATOM     25  N   LIG    1       -2.609   0.653  -0.301  0.00  0.00    -0.323 N 
ATOM     26  H   LIG    1       -3.257  -0.057   0.066  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -3.217   1.425  -1.383  0.00  0.00    +0.166 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.632   1.868  -1.111  0.00  0.00    +0.097 A 
ATOM     29  S   LIG    1       -4.929   3.353  -0.298  0.00  0.00    -0.071 S 
ATOM     30  C   LIG    1       -6.623   3.063  -0.386  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1       -6.843   1.847  -1.036  0.00  0.00    +0.079 A 
ATOM     32  C   LIG    1       -8.170   1.409  -1.223  0.00  0.00    +0.029 A 
ATOM     33  C   LIG    1       -9.233   2.189  -0.757  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1       -8.990   3.396  -0.109  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1       -7.683   3.855   0.087  0.00  0.00    +0.017 A 
ATOM     36  N   LIG    1       -5.702   1.178  -1.447  0.00  0.00    -0.242 NA
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   4  25
TORSDOF 8