@<TRIPOS>MOLECULE
68968644
36 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     5.3463    -3.7995    -1.1619	O.3	1	noname	-0.2071
2	O2    -0.6521    -0.9021    -1.4584	O.3	1	noname	-0.3681
3	O3     3.6419    -3.5829    -2.6182	O.2	1	noname	-0.2542
4	C1     7.2798    -7.0068    -1.3260	C.3	1	noname	-0.0449
5	C2     6.9837    -5.5541    -0.9479	C.3	1	noname	-0.0266
6	C3     5.6211    -5.1477    -1.5128	C.3	1	noname	0.0566
7	C4     2.2931    -1.6933    -1.4042	C.3	1	noname	-0.0379
8	C5     8.6423    -7.4132    -0.7611	C.3	1	noname	-0.0627
9	C6     7.2980    -7.1437    -2.8497	C.3	1	noname	-0.0627
10	C7     3.5838    -2.1747    -0.7386	C.3	1	noname	0.0340
11	C8     1.6565    -0.5962    -0.5486	C.3	1	noname	-0.0051
12	C9     4.1913    -3.2216    -1.5551	C.2	1	noname	0.1399
13	C10     0.4248    -0.1368    -1.1838	C.2	1	noname	0.0418
14	C11     0.1670     1.1576    -1.6050	C.2	1	noname	0.0020
15	C12    -1.1089     1.1689    -2.1512	C.2	1	noname	-0.0009
16	C13    -1.5882    -0.1278    -2.0434	C.2	1	noname	0.0371
17	H1     6.5070    -7.6547    -0.9122	H	1	noname	0.0298
18	H2     6.9707    -5.4566     0.1377	H	1	noname	0.0293
19	H3     7.7564    -4.9063    -1.3617	H	1	noname	0.0293
20	H4     4.8483    -5.7956    -1.0990	H	1	noname	0.0573
21	H5     5.6341    -5.2452    -2.5983	H	1	noname	0.0573
22	H6     1.5995    -2.5288    -1.4987	H	1	noname	0.0276
23	H7     2.5207    -1.2963    -2.3935	H	1	noname	0.0276
24	H8     7.5089    -8.1786    -3.1191	H	1	noname	0.0233
25	H9     8.8533    -8.4482    -1.0304	H	1	noname	0.0233
26	H10     8.6293    -7.3157     0.3245	H	1	noname	0.0233
27	H11     9.4151    -6.7654    -1.1749	H	1	noname	0.0233
28	H12     6.3272    -6.8541    -3.2522	H	1	noname	0.0233
29	H13     8.0707    -6.4958    -3.2635	H	1	noname	0.0233
30	H14     3.3563    -2.5717     0.2507	H	1	noname	0.0372
31	H15     4.2775    -1.3392    -0.6441	H	1	noname	0.0372
32	H16     1.4289    -0.9931     0.4407	H	1	noname	0.0337
33	H17     2.3502     0.2393    -0.4541	H	1	noname	0.0337
34	H18     0.7982     1.9551    -1.5280	H	1	noname	0.0647
35	H19    -1.5963     1.9704    -2.5516	H	1	noname	0.0644
36	H20    -2.5050    -0.4459    -2.3574	H	1	noname	0.0900
@<TRIPOS>BOND
1	1	6	1
2	1	12	1
3	2	13	1
4	2	16	1
5	3	12	2
6	4	5	1
7	4	8	1
8	4	9	1
9	4	17	1
10	5	6	1
11	5	18	1
12	5	19	1
13	6	20	1
14	6	21	1
15	7	10	1
16	7	11	1
17	7	22	1
18	7	23	1
19	8	25	1
20	8	26	1
21	8	27	1
22	9	24	1
23	9	28	1
24	9	29	1
25	10	12	1
26	10	30	1
27	10	31	1
28	11	13	1
29	11	32	1
30	11	33	1
31	13	14	2
32	14	15	1
33	14	34	1
34	15	16	2
35	15	35	1
36	16	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1