REMARK  Name = BDB034888
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.933   3.068  -2.764  0.00  0.00    +0.064 C 
ATOM      2  C   LIG    1       -0.658   2.614  -2.130  0.00  0.00    +0.024 A 
ATOM      3  N   LIG    1       -0.603   2.086  -0.829  0.00  0.00    -0.325 N 
ATOM      4  C   LIG    1        0.686   1.767  -0.395  0.00  0.00    +0.166 A 
ATOM      5  N   LIG    1        1.005   1.283   0.762  0.00  0.00    -0.152 NA
ATOM      6  S   LIG    1        1.827   2.103  -1.733  0.00  0.00    -0.060 S 
ATOM      7  C   LIG    1        0.536   2.683  -2.744  0.00  0.00    +0.069 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        2.335   1.083   1.028  0.00  0.00    +0.270 C 
ATOM      9  O   LIG    1        3.092   1.990   1.348  0.00  0.00    -0.268 OA
BRANCH   8  10
ATOM     10  C   LIG    1        2.816  -0.326   0.964  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1        4.190  -0.630   1.045  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1        4.539  -1.975   0.968  0.00  0.00    +0.139 A 
ATOM     13  N   LIG    1        5.900  -2.073   1.060  0.00  0.00    -0.346 N 
ATOM     14  H   LIG    1        6.400  -2.949   1.032  0.00  0.00    +0.167 HD
ATOM     15  C   LIG    1        6.448  -0.824   1.192  0.00  0.00    +0.085 A 
ATOM     16  N   LIG    1        3.718  -3.031   0.827  0.00  0.00    -0.237 NA
ATOM     17  C   LIG    1        2.415  -2.686   0.758  0.00  0.00    +0.114 A 
ATOM     18  C   LIG    1        5.414   0.089   1.184  0.00  0.00    +0.030 A 
ATOM     19  C   LIG    1        1.919  -1.394   0.818  0.00  0.00    +0.033 A 
ENDBRANCH   8  10
ENDBRANCH   5   8
BRANCH   3  20
ATOM     20  C   LIG    1       -1.745   1.954   0.075  0.00  0.00    +0.127 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.165   0.485   0.276  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1       -2.683  -0.174  -1.008  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -2.989  -1.661  -0.803  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -3.373  -2.019   0.632  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -4.090  -0.870   1.323  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1       -3.225   0.391   1.393  0.00  0.00    +0.005 C 
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 4