@<TRIPOS>MOLECULE
76966069
40 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.7129     2.0829     1.8822	O.3	1	noname	-0.2043
2	O2    -2.1543     2.5254     3.5553	O.2	1	noname	-0.2539
3	C1    -0.3594     0.1277     0.4706	C.3	1	noname	-0.0002
4	C2     0.7198    -0.1863    -0.5462	C.3	1	noname	-0.0246
5	C3     0.7481     1.2533    -1.0259	C.3	1	noname	-0.0331
6	C4     0.2993     1.2465     1.3417	C.3	1	noname	0.0734
7	C5    -1.4994     0.6721    -0.4584	C.3	1	noname	-0.0445
8	C6     1.0965     2.0280     0.2700	C.3	1	noname	-0.0221
9	C7    -0.7070     1.4792    -1.5307	C.3	1	noname	-0.0492
10	C8    -0.7324    -1.1313     1.2571	C.3	1	noname	-0.0566
11	C9     2.0273    -0.5075     0.1805	C.3	1	noname	-0.0590
12	C10     0.3479    -1.2310    -1.6003	C.3	1	noname	-0.0590
13	C11    -1.2633     1.7891     3.0794	C.2	1	noname	0.1410
14	C12    -0.8178     0.6114     3.8184	C.3	1	noname	0.0334
15	C13    -0.2557     1.0426     5.1745	C.3	1	noname	-0.0468
16	C14     0.2112    -0.1916     5.9489	C.3	1	noname	-0.0649
17	H1     1.4615     1.4783    -1.8187	H	1	noname	0.0309
18	H2     0.9793     0.8055     2.0705	H	1	noname	0.0615
19	H3    -2.1374     1.3501     0.1085	H	1	noname	0.0273
20	H4    -2.0199    -0.1604    -0.9319	H	1	noname	0.0273
21	H5     0.7107     3.0451     0.2001	H	1	noname	0.0296
22	H6     2.1648     1.9525     0.4726	H	1	noname	0.0296
23	H7    -0.9596     2.5364    -1.4498	H	1	noname	0.0270
24	H8    -0.8413     1.0363    -2.5176	H	1	noname	0.0270
25	H9    -1.5085    -0.8894     1.9833	H	1	noname	0.0237
26	H10    -1.1020    -1.8926     0.5702	H	1	noname	0.0237
27	H11     0.1477    -1.5084     1.7780	H	1	noname	0.0237
28	H12     1.1895    -1.3802    -2.2767	H	1	noname	0.0236
29	H13    -0.5163    -0.8840    -2.1667	H	1	noname	0.0236
30	H14     0.1056    -2.1731    -1.1085	H	1	noname	0.0236
31	H15     2.8034    -0.7333    -0.5508	H	1	noname	0.0236
32	H16     1.8792    -1.3694     0.8311	H	1	noname	0.0236
33	H17     2.3309     0.3515     0.7789	H	1	noname	0.0236
34	H18    -1.6613    -0.0617     3.9721	H	1	noname	0.0372
35	H19    -0.0421     0.0979     3.2503	H	1	noname	0.0372
36	H20    -1.0313     1.5561     5.7426	H	1	noname	0.0269
37	H21     0.5878     1.7157     5.0208	H	1	noname	0.0269
38	H22     0.6116     0.1157     6.9150	H	1	noname	0.0230
39	H23    -0.6323    -0.8646     6.1026	H	1	noname	0.0230
40	H24     0.9869    -0.7050     5.3807	H	1	noname	0.0230
@<TRIPOS>BOND
1	6	1	1
2	1	13	1
3	2	13	2
4	3	4	1
5	3	6	1
6	3	7	1
7	3	10	1
8	4	5	1
9	4	11	1
10	4	12	1
11	5	8	1
12	5	9	1
13	5	17	1
14	6	8	1
15	6	18	1
16	7	9	1
17	7	19	1
18	7	20	1
19	8	21	1
20	8	22	1
21	9	23	1
22	9	24	1
23	10	25	1
24	10	26	1
25	10	27	1
26	11	31	1
27	11	32	1
28	11	33	1
29	12	28	1
30	12	29	1
31	12	30	1
32	13	14	1
33	14	15	1
34	14	34	1
35	14	35	1
36	15	16	1
37	15	36	1
38	15	37	1
39	16	38	1
40	16	39	1
41	16	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1