@<TRIPOS>MOLECULE
85982833
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.1975    -2.1459     2.3690	O.3	1	noname	-0.1413
2	O2     0.9124    -2.3130    -0.3365	O.3	1	noname	-0.2555
3	O3     2.2868    -0.1701    -1.4818	O.3	1	noname	-0.2732
4	O4    -0.7864    -3.0662     4.1992	O.2	1	noname	-0.2567
5	C1     2.2637     1.0433     0.5940	C.2	1	noname	-0.0169
6	C2     2.9832     2.1423    -0.0432	C.3	1	noname	-0.0068
7	C3     1.2118     0.0533     2.5407	C.2	1	noname	-0.0069
8	C4     1.9096     1.1483     1.9705	C.2	1	noname	-0.0376
9	C5     1.9288    -0.1192    -0.1811	C.2	1	noname	0.0380
10	C6     0.8732    -1.1160     1.7669	C.2	1	noname	0.0473
11	C7     1.2270    -1.2207     0.3919	C.2	1	noname	0.0639
12	C8     4.3912     1.9332     0.0938	C.2	1	noname	-0.0809
13	C9     0.8390     0.1094     3.9004	C.2	1	noname	0.0046
14	C10     5.2471     2.8151    -0.4147	C.2	1	noname	-0.0805
15	C11     0.1427    -0.9701     4.4906	C.2	1	noname	0.0665
16	C12    -0.1712    -2.1026     3.6939	C.2	1	noname	0.1125
17	C13     6.6550     2.6060    -0.2776	C.3	1	noname	-0.0442
18	C14     4.7593     3.9725    -1.0984	C.3	1	noname	-0.0442
19	C15     1.9670    -3.2599    -0.2492	C.3	1	noname	0.0425
20	H1     2.7230     2.1821    -1.1009	H	1	noname	0.0360
21	H2     2.7074     3.0825     0.4344	H	1	noname	0.0360
22	H3     2.1474     1.9737     2.5206	H	1	noname	0.0633
23	H4     4.7288     1.1319     0.5672	H	1	noname	0.0578
24	H5     1.0723     0.9305     4.4586	H	1	noname	0.0632
25	H6    -0.1297    -0.9360     5.4729	H	1	noname	0.0686
26	H7     5.1262     3.9697    -2.1248	H	1	noname	0.0276
27	H8     3.6694     3.9599    -1.1021	H	1	noname	0.0276
28	H9     7.1103     2.5395    -1.2658	H	1	noname	0.0276
29	H10     6.8333     1.6792     0.2677	H	1	noname	0.0276
30	H11     7.0947     3.4399     0.2696	H	1	noname	0.0276
31	H12     5.1106     4.8701    -0.5894	H	1	noname	0.0276
32	H13     1.9895    -1.0197    -1.8694	H	1	noname	0.2183
33	H14     1.7130    -4.1418    -0.8373	H	1	noname	0.0535
34	H15     2.1122    -3.5471     0.7922	H	1	noname	0.0535
35	H16     2.8853    -2.8176    -0.6355	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	10	1
2	1	16	1
3	2	11	1
4	2	19	1
5	3	9	1
6	3	32	1
7	4	16	2
8	5	6	1
9	5	8	1
10	5	9	2
11	6	12	1
12	6	20	1
13	6	21	1
14	7	8	2
15	7	10	1
16	7	13	1
17	8	22	1
18	9	11	1
19	10	11	2
20	12	14	2
21	12	23	1
22	13	15	2
23	13	24	1
24	14	17	1
25	14	18	1
26	15	16	1
27	15	25	1
28	17	28	1
29	17	29	1
30	17	30	1
31	18	26	1
32	18	27	1
33	18	31	1
34	19	33	1
35	19	34	1
36	19	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1