REMARK  Name = BDB034851
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.745   2.096  -0.709  0.00  0.00    +0.032 C 
ATOM      2  C   LIG    1       -2.622   2.321   0.314  0.00  0.00    +0.041 C 
ATOM      3  N   LIG    1       -1.383   1.516   0.098  0.00  0.00    -0.303 N 
ATOM      4  C   LIG    1       -0.256   2.084   0.681  0.00  0.00    +0.150 C 
ATOM      5  N   LIG    1        0.878   1.731   1.153  0.00  0.00    -0.155 NA
ATOM      6  S   LIG    1       -0.493   3.851   0.838  0.00  0.00    -0.091 S 
ATOM      7  C   LIG    1       -2.179   3.791   0.202  0.00  0.00    +0.102 C 
ATOM      8  C   LIG    1       -3.179   2.007   1.718  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1       -1.442   0.283  -0.705  0.00  0.00    +0.076 C 
ATOM     10  C   LIG    1       -0.209   0.047  -1.583  0.00  0.00    +0.022 C 
ATOM     11  C   LIG    1       -0.407  -1.151  -2.517  0.00  0.00    +0.002 C 
ATOM     12  C   LIG    1       -1.173  -2.312  -1.879  0.00  0.00    +0.000 C 
ATOM     13  C   LIG    1       -1.207  -2.236  -0.357  0.00  0.00    +0.002 C 
ATOM     14  C   LIG    1       -1.863  -0.940   0.120  0.00  0.00    +0.022 C 
ENDBRANCH   3   9
BRANCH   5  15
ATOM     15  C   LIG    1        1.210   0.431   1.360  0.00  0.00    +0.271 C 
ATOM     16  O   LIG    1        0.510  -0.400   1.924  0.00  0.00    -0.268 OA
BRANCH  15  17
ATOM     17  C   LIG    1        2.570   0.130   0.907  0.00  0.00    +0.065 A 
ATOM     18  C   LIG    1        3.236  -1.140   0.957  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1        4.501  -0.965   0.406  0.00  0.00    +0.139 A 
ATOM     20  N   LIG    1        5.464  -1.891   0.243  0.00  0.00    -0.237 NA
ATOM     21  C   LIG    1        5.098  -3.113   0.692  0.00  0.00    +0.113 A 
ATOM     22  C   LIG    1        3.874  -3.434   1.263  0.00  0.00    +0.020 A 
ATOM     23  N   LIG    1        4.625   0.344   0.039  0.00  0.00    -0.345 N 
ATOM     24  H   LIG    1        5.458   0.729  -0.381  0.00  0.00    +0.167 HD
ATOM     25  C   LIG    1        2.911  -2.434   1.404  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1        3.470   1.019   0.329  0.00  0.00    +0.098 A 
ENDBRANCH  15  17
ENDBRANCH   5  15
TORSDOF 3