REMARK  Name = BDB034900
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.655  -1.063   0.103  0.00  0.00    +0.042 A 
ATOM      2  N   LIG    1       -0.859   0.097   0.290  0.00  0.00    -0.320 N 
ATOM      3  C   LIG    1        0.453  -0.017  -0.168  0.00  0.00    +0.166 A 
ATOM      4  N   LIG    1        1.366   0.895  -0.092  0.00  0.00    -0.152 NA
ATOM      5  S   LIG    1        0.670  -1.651  -0.847  0.00  0.00    -0.060 S 
ATOM      6  C   LIG    1       -0.978  -2.067  -0.484  0.00  0.00    +0.071 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.591   0.620  -0.638  0.00  0.00    +0.272 C 
ATOM      8  O   LIG    1        2.826   0.654  -1.840  0.00  0.00    -0.268 OA
BRANCH   7   9
ATOM      9  C   LIG    1        3.614   0.339   0.369  0.00  0.00    +0.065 A 
ATOM     10  C   LIG    1        4.984  -0.010   0.130  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1        5.588  -0.190   1.370  0.00  0.00    +0.139 A 
ATOM     12  N   LIG    1        6.865  -0.526   1.625  0.00  0.00    -0.237 NA
ATOM     13  C   LIG    1        7.597  -0.694   0.499  0.00  0.00    +0.113 A 
ATOM     14  C   LIG    1        7.131  -0.548  -0.800  0.00  0.00    +0.020 A 
ATOM     15  N   LIG    1        4.648   0.035   2.334  0.00  0.00    -0.345 N 
ATOM     16  H   LIG    1        4.839  -0.032   3.323  0.00  0.00    +0.167 HD
ATOM     17  C   LIG    1        5.796  -0.198  -1.004  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1        3.450   0.354   1.750  0.00  0.00    +0.098 A 
ENDBRANCH   7   9
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -3.106  -1.087   0.557  0.00  0.00    +0.137 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -4.291  -2.728  -0.835  0.00  0.00    +0.105 C 
ATOM     21  N   LIG    1       -3.923  -2.300   0.504  0.00  0.00    -0.303 NA
ATOM     22  C   LIG    1       -3.468  -3.384   1.360  0.00  0.00    +0.105 C 
ENDBRANCH  19  21
ENDBRANCH   1  19
BRANCH   2  23
ATOM     23  C   LIG    1       -1.327   1.361   0.861  0.00  0.00    +0.159 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.147   2.172  -0.120  0.00  0.00    -0.028 A 
ATOM     25  C   LIG    1       -1.614   2.565  -1.357  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -2.372   3.327  -2.248  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.667   3.713  -1.911  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.205   3.342  -0.681  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.449   2.581   0.212  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH   2  23
TORSDOF 6