@<TRIPOS>MOLECULE
71312545
34 34 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     7.4267    -1.0042    -0.9178	O.3	1	noname	-0.3959
2	O2    -1.6073    -2.1377    -2.0961	O.3	1	noname	-0.2168
3	O3    -2.5124    -1.4115    -0.1658	O.2	1	noname	-0.2533
4	C1     5.3043    -1.0705     0.2210	C.3	1	noname	-0.0169
5	C2     4.6260    -1.6391    -1.0269	C.3	1	noname	0.0083
6	C3     3.2242    -1.2315    -1.0473	C.2	1	noname	-0.0568
7	C4     6.7733    -1.4976     0.2424	C.3	1	noname	0.0461
8	C5     0.5550    -0.4554    -1.0862	C.2	1	noname	-0.0566
9	C6     4.6004    -1.6021     1.4712	C.3	1	noname	-0.0600
10	C7    -0.8468    -0.0478    -1.1066	C.3	1	noname	0.0671
11	C8     2.8543    -0.0454    -1.6707	C.2	1	noname	-0.0621
12	C9     2.2595    -2.0295    -0.4434	C.2	1	noname	-0.0621
13	C10     1.5197     0.3426    -1.6901	C.2	1	noname	-0.0549
14	C11     0.9249    -1.6414    -0.4628	C.2	1	noname	-0.0549
15	C12    -1.1478     0.8056     0.1271	C.3	1	noname	-0.0490
16	C13    -1.6986    -1.2335    -1.0978	C.2	1	noname	0.1386
17	H1     5.2426     0.0177     0.2043	H	1	noname	0.0326
18	H2     4.6878    -2.7272    -1.0102	H	1	noname	0.0319
19	H3     5.1275    -1.2604    -1.9175	H	1	noname	0.0319
20	H4     6.8351    -2.5857     0.2592	H	1	noname	0.0566
21	H5     7.2566    -1.0925     1.1315	H	1	noname	0.0566
22	H6     5.0836    -1.1970     2.3602	H	1	noname	0.0234
23	H7     3.5538    -1.2978     1.4559	H	1	noname	0.0234
24	H8     4.6622    -2.6902     1.4879	H	1	noname	0.0234
25	H9    -1.0430     0.5338    -2.0074	H	1	noname	0.0456
26	H10     3.5622     0.5401    -2.1139	H	1	noname	0.0625
27	H11     2.5310    -2.8998     0.0140	H	1	noname	0.0625
28	H12     1.2482     1.2130    -2.1475	H	1	noname	0.0625
29	H13     0.2170    -2.2270    -0.0197	H	1	noname	0.0625
30	H14    -2.1943     1.1099     0.1119	H	1	noname	0.0242
31	H15    -0.9516     0.2240     1.0279	H	1	noname	0.0242
32	H16    -0.5119     1.6909     0.1205	H	1	noname	0.0242
33	H17     8.3676    -1.2778    -0.9041	H	1	noname	0.2100
34	H18    -1.8017    -3.0821    -1.9211	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	7	1
2	1	33	1
3	2	16	1
4	2	34	1
5	3	16	2
6	4	5	1
7	4	7	1
8	4	9	1
9	4	17	1
10	5	6	1
11	5	18	1
12	5	19	1
13	6	11	2
14	6	12	1
15	7	20	1
16	7	21	1
17	8	10	1
18	8	13	2
19	8	14	1
20	9	22	1
21	9	23	1
22	9	24	1
23	10	15	1
24	10	16	1
25	10	25	1
26	11	13	1
27	11	26	1
28	12	14	2
29	12	27	1
30	13	28	1
31	14	29	1
32	15	30	1
33	15	31	1
34	15	32	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1