@<TRIPOS>MOLECULE
DB03102
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.1070     0.8593    -0.4092	S.3	1	noname	-0.1663
2	C1     1.5878     2.5510    -0.3282	C.2	1	noname	0.1110
3	C2     0.6727     0.2046    -1.1812	C.2	1	noname	0.0324
4	N1     2.2146     3.5907     0.2391	N.3	1	noname	-0.0844
5	C3     0.3500     2.5339    -1.0092	C.2	1	noname	0.0571
6	C4    -0.1435     1.3096    -1.5084	C.2	1	noname	0.0312
7	C5     0.2813    -1.1970    -1.4265	C.3	1	noname	0.0814
8	C6     3.0056     3.3968     1.3032	C.2	1	noname	0.1900
9	C7    -0.3727     3.7082    -1.1852	C.2	1	noname	0.0994
10	C8    -1.4266     1.1322    -2.2829	C.3	1	noname	0.0388
11	O1    -1.1615    -1.2829    -1.6064	O.3	1	noname	-0.3754
12	O2     3.5903     4.3666     1.8324	O.2	1	noname	-0.2370
13	C9     3.1759     2.1171     1.8186	C.2	1	noname	0.1753
14	O3     0.2252     4.8020    -1.2785	O.2	1	noname	-0.2564
15	O4    -1.7202     3.6674    -1.2553	O.3	1	noname	-0.2169
16	C10    -1.7009    -0.3698    -2.6176	C.3	1	noname	0.0513
17	O5     3.9138     1.9362     2.8112	O.2	1	noname	-0.2255
18	O6     2.5445     1.0697     1.2470	O.3	1	noname	-0.1949
19	H1     2.0908     4.5205    -0.1354	H	1	noname	0.1384
20	H2     0.7292    -1.4901    -2.3760	H	1	noname	0.0626
21	H3     0.5134    -1.7548    -0.5193	H	1	noname	0.0626
22	H4    -2.2218     1.4579    -1.6123	H	1	noname	0.0340
23	H5    -1.2699     1.6449    -3.2320	H	1	noname	0.0340
24	H6    -2.0867     3.6563    -0.3680	H	1	noname	0.2216
25	H7    -2.7802    -0.5176    -2.5803	H	1	noname	0.0569
26	H8    -1.1498    -0.6042    -3.5283	H	1	noname	0.0569
27	H9     2.1970     0.4932     1.9315	H	1	noname	0.2218
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	2
5	3	6	2
6	3	7	1
7	4	8	1
8	5	9	1
9	5	6	1
10	6	10	1
11	7	11	1
12	8	12	2
13	8	13	1
14	9	14	2
15	9	15	1
16	10	16	1
17	11	16	1
18	13	17	2
19	13	18	1
20	4	19	1
21	7	20	1
22	7	21	1
23	10	22	1
24	10	23	1
25	15	24	1
26	16	25	1
27	16	26	1
28	18	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1