REMARK  Name = BDB017642
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.436  -1.572   0.218  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.887  -1.141   0.282  0.00  0.00    -0.031 A 
ATOM      3  C   LIG    1       -2.685  -1.162  -0.870  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -4.026  -0.774  -0.805  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -4.606  -0.344   0.398  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -6.030   0.071   0.393  0.00  0.00    +0.045 A 
ATOM      7  N   LIG    1       -6.598   0.588   1.556  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -5.928   1.070   2.147  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -7.899   1.247   1.519  0.00  0.00    +0.102 C 
ATOM     10  C   LIG    1       -8.832   0.477   0.592  0.00  0.00    +0.023 C 
ATOM     11  C   LIG    1       -8.208   0.322  -0.799  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -6.750  -0.047  -0.742  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1       -6.130  -0.525  -2.007  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1       -6.774  -0.621  -3.048  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -3.807  -0.351   1.550  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -4.802  -0.838  -1.966  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -4.398  -1.158  -2.835  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1       -2.463  -0.741   1.493  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1  22
ATOM     19  N   LIG    1        2.920   0.738  -0.394  0.00  0.00    -0.307 N 
ATOM     20  C   LIG    1        1.690   1.388  -0.852  0.00  0.00    +0.122 C 
ATOM     21  C   LIG    1        0.449   0.639  -0.314  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1        0.362  -0.781  -0.731  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        1.709  -1.363  -0.922  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1        2.848  -0.700  -0.115  0.00  0.00    +0.122 C 
BRANCH  19  27
ATOM     25  C   LIG    1        6.335   1.626  -0.053  0.00  0.00    +0.135 A 
ATOM     26  N   LIG    1        5.233   0.772   0.043  0.00  0.00    -0.220 NA
ATOM     27  C   LIG    1        4.133   1.357  -0.385  0.00  0.00    +0.161 A 
ATOM     28  S   LIG    1        4.386   2.984  -0.933  0.00  0.00    -0.060 S 
ATOM     29  C   LIG    1        6.048   2.872  -0.568  0.00  0.00    +0.081 A 
BRANCH  25  32
ATOM     30  N   LIG    1        7.682  -0.087   0.864  0.00  0.00    -0.310 N 
ATOM     31  H   LIG    1        6.796  -0.584   0.825  0.00  0.00    +0.149 HD
ATOM     32  C   LIG    1        7.671   1.196   0.366  0.00  0.00    +0.263 C 
ATOM     33  O   LIG    1        8.666   1.907   0.272  0.00  0.00    -0.269 OA
BRANCH  30  35
ATOM     34  C   LIG    1        9.581  -1.411   0.063  0.00  0.00    +0.024 C 
ATOM     35  C   LIG    1        8.892  -0.769   1.253  0.00  0.00    +0.101 C 
ENDBRANCH  30  35
ENDBRANCH  25  32
ENDBRANCH  19  27
ENDBRANCH   1  22
TORSDOF 5