@<TRIPOS>MOLECULE
91827148
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.4969    -0.3403     2.8167	O.3	1	noname	-0.2070
2	O2     4.4938     0.5111     2.3024	O.2	1	noname	-0.2541
3	C1     0.7087    -0.8171     0.3374	C.3	1	noname	-0.0265
4	C2     2.1413    -0.3052    -0.2590	C.3	1	noname	-0.0214
5	C3     2.3402    -0.5507    -1.8346	C.3	1	noname	-0.0315
6	C4    -0.4038    -0.1877    -0.6091	C.3	1	noname	-0.0474
7	C5     1.1873     0.2108    -2.5928	C.3	1	noname	-0.0478
8	C6    -0.2360    -0.2422    -2.1489	C.3	1	noname	-0.0522
9	C7     0.3203    -0.3184     1.8242	C.3	1	noname	-0.0232
10	C8     3.4069    -0.7559     0.5793	C.3	1	noname	0.0375
11	C9     0.5422    -2.3893     0.4424	C.3	1	noname	-0.0593
12	C10     3.6967     0.0686    -2.3684	C.3	1	noname	-0.0596
13	C11     2.3835    -2.0634    -2.2646	C.3	1	noname	-0.0596
14	C12     1.3414     0.4785     2.6360	C.3	1	noname	0.0569
15	C13     3.4997    -0.1624     1.9341	C.2	1	noname	0.1401
16	H1     2.1355     0.7979    -0.1386	H	1	noname	0.0319
17	H2    -1.3651    -0.6583    -0.3973	H	1	noname	0.0272
18	H3    -0.5278     0.8769    -0.3892	H	1	noname	0.0272
19	H4     1.2690     0.0538    -3.6690	H	1	noname	0.0272
20	H5     1.2671     1.3046    -2.4453	H	1	noname	0.0272
21	H6    -0.9698     0.4196    -2.6164	H	1	noname	0.0267
22	H7    -0.4605    -1.2400    -2.5145	H	1	noname	0.0267
23	H8    -0.5935     0.2755     1.8309	H	1	noname	0.0296
24	H9     0.0662    -1.1653     2.4875	H	1	noname	0.0296
25	H10     3.4690    -1.8421     0.6361	H	1	noname	0.0375
26	H11     4.3560    -0.4140     0.1141	H	1	noname	0.0375
27	H12    -0.4156    -2.6262     0.8825	H	1	noname	0.0236
28	H13     0.5367    -3.0081    -0.4280	H	1	noname	0.0236
29	H14     1.3163    -2.7872     1.0954	H	1	noname	0.0236
30	H15     3.7795    -0.0069    -3.4606	H	1	noname	0.0236
31	H16     3.7912     1.1270    -2.0992	H	1	noname	0.0236
32	H17     4.5876    -0.4526    -1.9612	H	1	noname	0.0236
33	H18     2.6304    -2.1722    -3.3148	H	1	noname	0.0236
34	H19     1.3868    -2.4832    -2.1782	H	1	noname	0.0236
35	H20     3.1175    -2.6104    -1.6729	H	1	noname	0.0236
36	H21     0.9172     0.7281     3.6085	H	1	noname	0.0573
37	H22     1.6214     1.3600     2.0592	H	1	noname	0.0573
@<TRIPOS>BOND
1	1	14	1
2	1	15	1
3	2	15	2
4	3	4	1
5	3	6	1
6	3	9	1
7	3	11	1
8	4	5	1
9	4	10	1
10	4	16	1
11	5	7	1
12	5	12	1
13	5	13	1
14	6	8	1
15	6	17	1
16	6	18	1
17	7	8	1
18	7	19	1
19	7	20	1
20	8	21	1
21	8	22	1
22	9	14	1
23	9	23	1
24	9	24	1
25	10	15	1
26	10	25	1
27	10	26	1
28	11	27	1
29	11	28	1
30	11	29	1
31	12	30	1
32	12	31	1
33	12	32	1
34	13	33	1
35	13	34	1
36	13	35	1
37	14	36	1
38	14	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1