REMARK  Name = BDB032650
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.666  -0.442   0.102  0.00  0.00    +0.173 A 
ATOM      2  O   LIG    1       -0.000   0.523  -0.599  0.00  0.00    -0.353 OA
ATOM      3  N   LIG    1        1.019  -0.049  -1.334  0.00  0.00    -0.061 NA
ATOM      4  C   LIG    1        0.970  -1.355  -1.073  0.00  0.00    +0.181 A 
ATOM      5  C   LIG    1       -0.074  -1.654  -0.174  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -2.250  -0.721   2.042  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1       -1.782   0.015   0.931  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1       -2.423   1.230   0.606  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -3.505   1.717   1.353  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1       -3.953   0.970   2.446  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1       -3.333  -0.235   2.786  0.00  0.00    +0.047 A 
BRANCH   6  13
ATOM     12  C   LIG    1       -2.011  -2.617   3.486  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1       -1.593  -1.890   2.337  0.00  0.00    -0.494 OA
ENDBRANCH   6  13
BRANCH   9  14
ATOM     14  C   LIG    1       -4.178   3.016   0.983  0.00  0.00    +0.178 C 
BRANCH  14  15
ATOM     15  N   LIG    1       -5.516   2.796   0.451  0.00  0.00    -0.267 N 
ATOM     16  N   LIG    1       -6.599   2.991   1.236  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1       -7.627   2.723   0.426  0.00  0.00    +0.134 A 
ATOM     18  C   LIG    1       -7.212   2.371  -0.871  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1       -5.840   2.433  -0.828  0.00  0.00    +0.108 A 
ENDBRANCH  14  15
ENDBRANCH   9  14
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  N   LIG    1        1.828  -2.305  -1.600  0.00  0.00    -0.197 N 
ATOM     21  H   LIG    1        1.848  -3.239  -1.205  0.00  0.00    +0.175 HD
BRANCH  20  22
ATOM     22  S   LIG    1        3.200  -1.940  -2.490  0.00  0.00    +0.081 S 
ATOM     23  O   LIG    1        2.761  -1.250  -3.686  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1        3.939  -3.186  -2.599  0.00  0.00    -0.150 OA
BRANCH  22  25
ATOM     25  C   LIG    1        4.147  -0.876  -1.441  0.00  0.00    +0.191 A 
ATOM     26  C   LIG    1        4.388  -1.263  -0.114  0.00  0.00    +0.150 A 
ATOM     27  C   LIG    1        5.084  -0.415   0.756  0.00  0.00    +0.048 A 
ATOM     28  C   LIG    1        5.597   0.792   0.289  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        5.409   1.156  -1.042  0.00  0.00    +0.048 A 
ATOM     30  C   LIG    1        4.672   0.334  -1.905  0.00  0.00    +0.150 A 
BRANCH  26  31
ATOM     31  O   LIG    1        3.900  -2.449   0.375  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1        4.965  -3.374   0.620  0.00  0.00    +0.277 C 
ENDBRANCH  26  31
BRANCH  30  33
ATOM     33  O   LIG    1        4.597   0.696  -3.221  0.00  0.00    -0.493 OA
ATOM     34  C   LIG    1        3.679   1.774  -3.411  0.00  0.00    +0.277 C 
ENDBRANCH  30  33
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 9