REMARK  Name = BDB049390
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.342  -1.938  -0.126  0.00  0.00    +0.193 A 
ATOM      2  N   LIG    1       -1.679  -1.667  -0.172  0.00  0.00    -0.186 N 
ATOM      3  C   LIG    1       -2.295  -2.864  -0.256  0.00  0.00    +0.218 A 
ATOM      4  S   LIG    1       -3.984  -2.652  -0.320  0.00  0.00    -0.026 S 
ATOM      5  C   LIG    1       -3.663  -0.893  -0.222  0.00  0.00    +0.134 A 
ATOM      6  N   LIG    1       -1.448  -3.850  -0.266  0.00  0.00    -0.120 NA
ATOM      7  N   LIG    1       -2.408  -0.521  -0.149  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -0.188  -3.258  -0.182  0.00  0.00    -0.128 NA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -4.786   0.070  -0.225  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -6.123  -0.304  -0.301  0.00  0.00    +0.121 A 
ATOM     11  N   LIG    1       -7.158   0.573  -0.305  0.00  0.00    -0.263 NA
ATOM     12  C   LIG    1       -6.852   1.885  -0.228  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1       -5.555   2.363  -0.148  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -4.510   1.440  -0.147  0.00  0.00    +0.013 A 
ENDBRANCH   5   9
BRANCH   1  15
ATOM     15  C   LIG    1        0.673  -0.861  -0.030  0.00  0.00    +0.307 C 
BRANCH  15  16
ATOM     16  O   LIG    1        1.961  -1.471  -0.005  0.00  0.00    -0.484 OA
BRANCH  16  21
ATOM     17  C   LIG    1        6.716   1.609   0.341  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1        5.441   0.828   0.222  0.00  0.00    -0.050 A 
ATOM     19  C   LIG    1        5.468  -0.568   0.165  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        4.277  -1.293   0.087  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        3.043  -0.640   0.074  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        3.010   0.753   0.146  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        4.204   1.481   0.225  0.00  0.00    +0.007 A 
ENDBRANCH  16  21
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 4