@<TRIPOS>MOLECULE
70061383
36 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.8654    -2.3130    -0.3114	O.3	1	noname	-0.2168
2	O2    -2.4221    -1.7088     1.7856	O.2	1	noname	-0.2532
3	C1     5.1295    -0.1234     0.4340	C.3	1	noname	-0.0430
4	C2     4.2896    -0.8127    -0.6432	C.3	1	noname	0.0068
5	C3    -1.2452    -0.1130     0.5257	C.3	1	noname	0.0696
6	C4     2.8719    -0.6335    -0.3438	C.2	1	noname	-0.0569
7	C5     0.1725    -0.2923     0.2263	C.2	1	noname	-0.0567
8	C6    -1.3958     0.7015     1.8120	C.3	1	noname	-0.0398
9	C7     2.1894     0.4684    -0.8459	C.2	1	noname	-0.0623
10	C8     2.2047    -1.5648     0.4433	C.2	1	noname	-0.0623
11	C9     0.8397     0.6390    -0.5609	C.2	1	noname	-0.0549
12	C10     0.8550    -1.3942     0.7283	C.2	1	noname	-0.0549
13	C11     6.6151    -0.3112     0.1203	C.3	1	noname	-0.0624
14	C12     4.8145    -0.7398     1.7984	C.3	1	noname	-0.0624
15	C13    -1.8747    -1.4188     0.6999	C.2	1	noname	0.1387
16	C14    -0.7362     2.0699     1.6294	C.3	1	noname	-0.0643
17	H1     4.8938     0.9407     0.4529	H	1	noname	0.0300
18	H2     4.5253    -1.8768    -0.6621	H	1	noname	0.0318
19	H3     4.5140    -0.3736    -1.6153	H	1	noname	0.0318
20	H4    -1.7264     0.4153    -0.2974	H	1	noname	0.0459
21	H5    -2.4542     0.8353     2.0355	H	1	noname	0.0275
22	H6    -0.9146     0.1731     2.6351	H	1	noname	0.0275
23	H7     2.6791     1.1518    -1.4235	H	1	noname	0.0625
24	H8     2.7055    -2.3734     0.8118	H	1	noname	0.0625
25	H9     0.3389     1.4476    -0.9293	H	1	noname	0.0625
26	H10     0.3653    -2.0776     1.3060	H	1	noname	0.0625
27	H11     7.2134     0.1799     0.8877	H	1	noname	0.0233
28	H12     6.8508    -1.3753     0.1014	H	1	noname	0.0233
29	H13     6.8395     0.1280    -0.8518	H	1	noname	0.0233
30	H14     5.4128    -0.2487     2.5659	H	1	noname	0.0233
31	H15     3.7560    -0.6060     2.0220	H	1	noname	0.0233
32	H16     5.0501    -1.8039     1.7795	H	1	noname	0.0233
33	H17    -0.8435     2.6501     2.5458	H	1	noname	0.0231
34	H18    -1.2174     2.5982     0.8064	H	1	noname	0.0231
35	H19     0.3222     1.9361     1.4059	H	1	noname	0.0231
36	H20    -1.8638    -3.2734    -0.1164	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	15	1
2	1	36	1
3	2	15	2
4	3	4	1
5	3	13	1
6	3	14	1
7	3	17	1
8	4	6	1
9	4	18	1
10	4	19	1
11	5	7	1
12	5	8	1
13	5	15	1
14	5	20	1
15	6	9	2
16	6	10	1
17	7	11	2
18	7	12	1
19	8	16	1
20	8	21	1
21	8	22	1
22	9	11	1
23	9	23	1
24	10	12	2
25	10	24	1
26	11	25	1
27	12	26	1
28	13	27	1
29	13	28	1
30	13	29	1
31	14	30	1
32	14	31	1
33	14	32	1
34	16	33	1
35	16	34	1
36	16	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1