@<TRIPOS>MOLECULE
DB03935
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.1782    -1.5194    -0.3339	S	1	noname	0.0219
2	O1    -0.2495    -2.8081    -0.2653	O.2	1	noname	-0.1285
3	O2    -2.3162    -1.6268     0.7714	O.2	1	noname	-0.1285
4	O3    -0.2467    -0.1380    -0.0509	O.3	1	noname	-0.0995
5	O4    -1.8874    -1.4169    -1.8644	O.3	1	noname	-0.1166
6	C1     0.5141     0.1663    -1.2120	C.3	1	noname	0.1620
7	C2    -0.4081     0.4326    -2.4366	C.3	1	noname	0.1866
8	C3     1.4630     1.3356    -0.8680	C.3	1	noname	0.1161
9	O5     0.0511     1.5148    -3.2974	O.3	1	noname	-0.3333
10	O6    -1.7250     0.7129    -1.9854	O.3	1	noname	-0.3656
11	O7     2.7112     1.1385    -1.5158	O.3	1	noname	-0.3872
12	C4     0.9348     2.7479    -1.1890	C.3	1	noname	0.1186
13	C5     0.3038     2.7803    -2.6129	C.3	1	noname	0.1743
14	O8     2.0046     3.6794    -1.1240	O.3	1	noname	-0.3869
15	C6    -0.9231     3.5712    -2.5837	C.2	1	noname	0.1515
16	O9    -0.9531     4.6984    -3.1230	O.2	1	noname	-0.2442
17	O10    -2.0252     3.0850    -1.9741	O.3	1	noname	-0.2098
18	H1    -2.0447    -2.3009    -2.2041	H	1	noname	0.2408
19	H2     1.0951    -0.7289    -1.4338	H	1	noname	0.0706
20	H3    -0.4595    -0.4412    -3.0862	H	1	noname	0.0950
21	H4     1.6500     1.2981     0.2052	H	1	noname	0.0659
22	H5    -1.7404     0.7162    -1.0255	H	1	noname	0.2134
23	H6     3.4003     1.0297    -0.8563	H	1	noname	0.2106
24	H7     0.2264     3.0764    -0.4285	H	1	noname	0.0662
25	H8     1.0424     3.2216    -3.2821	H	1	noname	0.0743
26	H9     2.2144     3.8621    -0.2052	H	1	noname	0.2107
27	H10    -1.9125     3.1347    -1.0221	H	1	noname	0.2214
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	6	4	1
6	6	7	1
7	6	8	1
8	7	9	1
9	7	10	1
10	8	11	1
11	8	12	1
12	9	13	1
13	12	14	1
14	12	13	1
15	13	15	1
16	15	16	2
17	15	17	1
18	5	18	1
19	6	19	1
20	7	20	1
21	8	21	1
22	10	22	1
23	11	23	1
24	12	24	1
25	13	25	1
26	14	26	1
27	17	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1