REMARK  Name = BDB050137
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.017  -0.967   0.431  0.00  0.00    +0.140 A 
ATOM      2  N   LIG    1       -0.773  -0.578   0.334  0.00  0.00    -0.150 NA
ATOM      3  N   LIG    1       -0.087  -0.555   1.518  0.00  0.00    -0.211 N 
ATOM      4  C   LIG    1       -0.577  -0.904   2.766  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1        0.336  -0.788   3.704  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        1.458  -0.358   3.047  0.00  0.00    +0.141 A 
ATOM      7  C   LIG    1       -1.920  -1.322   2.839  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        1.237  -0.187   1.690  0.00  0.00    +0.093 A 
ATOM      9  C   LIG    1       -2.654  -1.369   1.722  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.151   0.250   0.633  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        3.483  -0.187   0.635  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        4.364   0.249  -0.361  0.00  0.00    +0.088 A 
ATOM     13  C   LIG    1        3.935   1.101  -1.379  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1        2.614   1.543  -1.383  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        1.733   1.125  -0.380  0.00  0.00    +0.010 A 
BRANCH  12  16
ATOM     16  S   LIG    1        6.045  -0.325  -0.350  0.00  0.00    -0.006 S 
ATOM     17  O   LIG    1        6.562  -0.199  -1.700  0.00  0.00    -0.170 OA
ATOM     18  O   LIG    1        6.069  -1.601   0.338  0.00  0.00    -0.170 OA
ATOM     19  C   LIG    1        6.873   0.867   0.669  0.00  0.00    +0.200 C 
ENDBRANCH  12  16
ENDBRANCH   8  10
BRANCH   1  20
ATOM     20  N   LIG    1       -2.700  -0.989  -0.761  0.00  0.00    -0.323 N 
ATOM     21  H   LIG    1       -2.115  -0.611  -1.504  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  CA  LIG    1       -4.123  -0.719  -0.933  0.00  0.00    +0.097 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -3.790   1.758  -1.594  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1       -4.445   0.760  -0.647  0.00  0.00    +0.021 C 
ENDBRANCH  22  24
BRANCH  22  25
ATOM     25  C   LIG    1       -4.565  -1.179  -2.338  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -5.961  -0.984  -2.540  0.00  0.00    -0.393 OA
ATOM     27  H   LIG    1       -6.431  -1.665  -2.027  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7