@<TRIPOS>MOLECULE
72941599
26 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.6679     2.1815    -0.7323	S	1	noname	0.0272
2	O1    -3.3657     2.3500    -0.5865	O.3	1	noname	-0.1452
3	O2    -1.0464     3.6599    -0.7869	O.2	1	noname	-0.1604
4	O3    -1.4676     1.5242    -2.1729	O.2	1	noname	-0.1604
5	O4    -0.0453    -2.7352     3.0858	O.2	1	noname	-0.2995
6	N1    -0.6532    -1.0493     1.7416	N.3	1	noname	-0.0764
7	C1    -1.0940    -0.3876     0.5227	C.3	1	noname	0.0385
8	C2    -1.0517     1.1879     0.6976	C.3	1	noname	0.1003
9	C3    -0.0044    -0.7356    -0.5920	C.3	1	noname	-0.0453
10	C4    -2.6287    -0.7176     0.2671	C.3	1	noname	-0.0453
11	C5    -0.4891    -2.4094     1.9602	C.2	1	noname	0.0118
12	C6    -0.7090    -3.3794     0.9705	C.2	1	noname	0.0097
13	C7    -0.0542    -4.5130     0.7408	C.2	1	noname	-0.0509
14	H1    -1.6700     1.4870     1.5406	H	1	noname	0.0507
15	H2    -0.0524     1.5420     0.9454	H	1	noname	0.0507
16	H3    -0.2456    -0.3539    -1.5592	H	1	noname	0.0249
17	H4     0.2439    -1.7786    -0.7590	H	1	noname	0.0249
18	H5     0.9603    -0.2817    -0.3431	H	1	noname	0.0249
19	H6    -3.0056    -0.2491    -0.6381	H	1	noname	0.0249
20	H7    -3.2362    -0.3052     1.0830	H	1	noname	0.0249
21	H8    -2.9032    -1.7580     0.1730	H	1	noname	0.0249
22	H9    -0.4234    -0.4743     2.4825	H	1	noname	0.1319
23	H10    -1.4111    -3.1909     0.3041	H	1	noname	0.0668
24	H11     0.6903    -4.8485     1.3134	H	1	noname	0.0539
25	H12    -0.2666    -5.0398    -0.0788	H	1	noname	0.0539
26	H13    -3.5698     3.1233    -0.0203	H	1	noname	0.2384
@<TRIPOS>BOND
1	1	2	1
2	1	3	2
3	1	4	2
4	1	8	1
5	2	26	1
6	5	11	2
7	6	7	1
8	6	11	1
9	6	22	1
10	7	8	1
11	7	9	1
12	7	10	1
13	8	14	1
14	8	15	1
15	9	16	1
16	9	17	1
17	9	18	1
18	10	19	1
19	10	20	1
20	10	21	1
21	11	12	1
22	12	13	2
23	12	23	1
24	13	24	1
25	13	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1