@<TRIPOS>MOLECULE
90479684
25 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.7040     0.8972    -0.2624	O.3	1	noname	-0.3874
2	O2     0.0988     2.3044    -1.7549	O.3	1	noname	-0.3869
3	O3    -1.2062    -0.4048     2.0791	O.3	1	noname	-0.3878
4	O4     2.3343     3.5868    -0.5990	O.3	1	noname	-0.3798
5	O5     1.2363     1.7519     3.3223	O.3	1	noname	-0.3934
6	O6     3.8152     1.0404     0.4336	O.3	1	noname	-0.2099
7	O7     2.3722     0.3935    -1.1529	O.2	1	noname	-0.2443
8	C1    -0.3758     0.9330     0.2418	C.3	1	noname	0.1111
9	C2     0.2889     2.2214    -0.3443	C.3	1	noname	0.1180
10	C3    -0.4846     0.7839     1.7990	C.3	1	noname	0.1056
11	C4     1.8007     2.4038     0.0021	C.3	1	noname	0.1677
12	C5     0.8103     0.5888     2.6126	C.3	1	noname	0.0718
13	C6     2.6704     1.2445    -0.2825	C.2	1	noname	0.1513
14	H1     0.1159     0.0622    -0.1910	H	1	noname	0.0657
15	H2    -0.2319     3.0898     0.0399	H	1	noname	0.0662
16	H3    -1.0562     1.6104     2.2162	H	1	noname	0.0652
17	H4     1.8835     2.5876     1.0874	H	1	noname	0.0739
18	H5     0.6787    -0.2361     3.3128	H	1	noname	0.0591
19	H6     1.5950     0.2769     1.9234	H	1	noname	0.0591
20	H7    -2.1847     1.7010     0.0262	H	1	noname	0.2106
21	H8     0.5016     1.5216    -2.1855	H	1	noname	0.2107
22	H9    -2.1004    -0.3453     1.6826	H	1	noname	0.2106
23	H10     1.8435     4.3694    -0.2717	H	1	noname	0.2113
24	H11     2.0606     1.5516     3.8128	H	1	noname	0.2101
25	H12     4.3421     0.2400     0.2171	H	1	noname	0.2214
@<TRIPOS>BOND
1	8	1	1
2	1	20	1
3	9	2	1
4	2	21	1
5	10	3	1
6	3	22	1
7	11	4	1
8	4	23	1
9	5	12	1
10	5	24	1
11	6	13	1
12	6	25	1
13	7	13	2
14	8	9	1
15	8	10	1
16	8	14	1
17	9	11	1
18	9	15	1
19	10	12	1
20	10	16	1
21	11	13	1
22	11	17	1
23	12	18	1
24	12	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1