@<TRIPOS>MOLECULE
72941699
26 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.9080     0.2374     0.4393	O.3	1	noname	-0.3923
2	O2     1.1496    -2.5436    -1.5855	O.2	1	noname	-0.3042
3	C1    -0.4527     0.0025     0.1077	C.3	1	noname	0.0635
4	C2    -0.5286    -0.8676    -1.1485	C.3	1	noname	0.0403
5	C3    -1.1518     1.3380    -0.1539	C.3	1	noname	-0.0266
6	C4    -1.9275    -1.1092    -1.4894	C.3	1	noname	-0.0442
7	C5    -1.0759     2.2081     1.1023	C.3	1	noname	-0.0537
8	C6     0.1706    -2.2032    -0.8869	C.2	1	noname	0.1267
9	C7    -2.0034    -1.9793    -2.7456	C.3	1	noname	-0.0646
10	C8    -1.7750     3.5437     0.8406	C.3	1	noname	-0.0653
11	H1    -0.9449    -0.5095     0.9346	H	1	noname	0.0607
12	H2    -0.0363    -0.3557    -1.9754	H	1	noname	0.0406
13	H3    -2.1962     1.1577    -0.4085	H	1	noname	0.0293
14	H4    -0.6595     1.8499    -0.9808	H	1	noname	0.0293
15	H5    -2.4256    -0.1577    -1.6758	H	1	noname	0.0272
16	H6    -2.4198    -1.6211    -0.6626	H	1	noname	0.0272
17	H7    -1.5682     1.6962     1.9291	H	1	noname	0.0265
18	H8    -0.0315     2.3885     1.3568	H	1	noname	0.0265
19	H9    -0.1623    -2.8158    -0.1423	H	1	noname	0.1045
20	H10    -3.0478    -2.1596    -3.0001	H	1	noname	0.0231
21	H11    -1.5111    -1.4673    -3.5725	H	1	noname	0.0231
22	H12    -1.5053    -2.9308    -2.5592	H	1	noname	0.0231
23	H13    -1.7209     4.1635     1.7356	H	1	noname	0.0230
24	H14    -2.8194     3.3633     0.5861	H	1	noname	0.0230
25	H15    -1.2827     4.0556     0.0138	H	1	noname	0.0230
26	H16     1.3506     0.6977    -0.3041	H	1	noname	0.2104
@<TRIPOS>BOND
1	3	1	1
2	1	26	1
3	2	8	2
4	3	4	1
5	3	5	1
6	3	11	1
7	4	6	1
8	4	8	1
9	4	12	1
10	5	7	1
11	5	13	1
12	5	14	1
13	6	9	1
14	6	15	1
15	6	16	1
16	7	10	1
17	7	17	1
18	7	18	1
19	8	19	1
20	9	20	1
21	9	21	1
22	9	22	1
23	10	23	1
24	10	24	1
25	10	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1