REMARK  Name = BDB034883
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.402  -0.378   1.246  0.00  0.00    -0.297 N 
ATOM      2  C   LIG    1       -0.264   0.343   0.868  0.00  0.00    +0.170 A 
ATOM      3  N   LIG    1        0.204   0.514  -0.327  0.00  0.00    -0.152 NA
ATOM      4  S   LIG    1        0.515   0.948   2.383  0.00  0.00    -0.060 S 
ATOM      5  C   LIG    1       -0.676   0.145   3.372  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1       -1.576  -0.495   2.617  0.00  0.00    +0.100 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.982  -0.490  -0.663  0.00  0.00    -0.024 A 
ATOM      8  C   LIG    1       -2.178  -1.117   0.315  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -2.154  -2.525   0.374  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -2.889  -3.301  -0.522  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -3.669  -2.681  -1.491  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -3.720  -1.290  -1.558  0.00  0.00    +0.005 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -4.230   1.506   0.217  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1       -3.158   1.011  -0.744  0.00  0.00    +0.034 C 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  C   LIG    1        1.326   1.282  -0.485  0.00  0.00    +0.270 C 
ATOM     16  O   LIG    1        1.335   2.497  -0.338  0.00  0.00    -0.268 OA
BRANCH  15  17
ATOM     17  C   LIG    1        2.552   0.553  -0.910  0.00  0.00    +0.051 A 
ATOM     18  C   LIG    1        3.815   1.179  -0.890  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1        4.899   0.409  -1.300  0.00  0.00    +0.139 A 
ATOM     20  N   LIG    1        6.029   1.175  -1.210  0.00  0.00    -0.346 N 
ATOM     21  H   LIG    1        6.950   0.843  -1.455  0.00  0.00    +0.167 HD
ATOM     22  C   LIG    1        5.707   2.424  -0.748  0.00  0.00    +0.085 A 
ATOM     23  N   LIG    1        4.890  -0.870  -1.718  0.00  0.00    -0.237 NA
ATOM     24  C   LIG    1        3.656  -1.418  -1.724  0.00  0.00    +0.114 A 
ATOM     25  C   LIG    1        4.344   2.456  -0.541  0.00  0.00    +0.030 A 
ATOM     26  C   LIG    1        2.487  -0.779  -1.343  0.00  0.00    +0.033 A 
ENDBRANCH  15  17
ENDBRANCH   3  15
TORSDOF 4