@<TRIPOS>MOLECULE
101278415
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.6416    -1.5283     0.3994	O.3	1	noname	-0.2695
2	O2    -2.0174     0.8433     0.1146	O.2	1	noname	-0.2925
3	O3    -1.8145    -1.3618     1.3953	O.3	1	noname	-0.2698
4	O4    -0.2005    -3.3752     2.1744	O.3	1	noname	-0.2629
5	O5     3.0995     1.1167    -1.0765	O.2	1	noname	-0.2938
6	O6    -2.7725     2.7958    -2.8716	O.2	1	noname	-0.2990
7	C1     0.0585    -0.1378     0.3294	C.2	1	noname	0.0609
8	C2    -0.2414     2.0742    -0.7761	C.2	1	noname	0.0694
9	C3     1.4753    -0.0895     0.0244	C.2	1	noname	0.0395
10	C4     1.0960     2.1916    -1.0336	C.2	1	noname	0.0675
11	C5    -0.7839     0.9433    -0.1073	C.2	1	noname	0.0964
12	C6     1.9152     1.0865    -0.7038	C.2	1	noname	0.0900
13	C7    -1.2085     3.0806    -1.2468	C.3	1	noname	0.0352
14	C8     2.3039    -1.1925     0.4802	C.2	1	noname	0.0422
15	C9    -0.4966    -1.2477     1.0595	C.2	1	noname	0.0563
16	C10     0.3207    -2.3045     1.4843	C.2	1	noname	0.0579
17	C11     1.6904    -2.2556     1.1914	C.2	1	noname	0.0308
18	C12     1.7304     3.3871    -1.6571	C.3	1	noname	-0.0355
19	C13    -1.5525     2.8394    -2.6583	C.2	1	noname	0.1335
20	C14    -0.6770     2.6204    -3.8242	C.3	1	noname	-0.0054
21	C15     4.7443    -0.8070    -0.1431	C.3	1	noname	0.0423
22	C16    -0.6024    -4.3804     1.2554	C.3	1	noname	0.0424
23	H1    -2.1116     3.0289    -0.6387	H	1	noname	0.0397
24	H2    -0.6783     4.0328    -1.2290	H	1	noname	0.0397
25	H3     2.2484    -3.0516     1.5217	H	1	noname	0.0679
26	H4     2.2203     3.0955    -2.5861	H	1	noname	0.0281
27	H5     0.9663     4.1352    -1.8685	H	1	noname	0.0281
28	H6     2.4686     3.8051    -0.9727	H	1	noname	0.0281
29	H7    -0.0456     1.7499    -3.6459	H	1	noname	0.0310
30	H8    -1.2880     2.4506    -4.7107	H	1	noname	0.0310
31	H9    -0.0500     3.4987    -3.9778	H	1	noname	0.0310
32	H10    -1.8962    -1.8687     2.2300	H	1	noname	0.2183
33	H11     5.6551    -1.3943    -0.0271	H	1	noname	0.0535
34	H12     4.5678    -0.6155    -1.2015	H	1	noname	0.0535
35	H13     4.8534     0.1407     0.3843	H	1	noname	0.0535
36	H14    -1.0152    -5.2283     1.8019	H	1	noname	0.0535
37	H15    -1.3606    -3.9768     0.5842	H	1	noname	0.0535
38	H16     0.2600    -4.7075     0.6746	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	14	1
2	1	21	1
3	2	11	2
4	3	15	1
5	3	32	1
6	4	16	1
7	4	22	1
8	5	12	2
9	6	19	2
10	7	9	2
11	7	11	1
12	7	15	1
13	8	10	2
14	8	11	1
15	8	13	1
16	9	12	1
17	9	14	1
18	10	12	1
19	10	18	1
20	13	19	1
21	13	23	1
22	13	24	1
23	14	17	2
24	15	16	2
25	16	17	1
26	17	25	1
27	18	26	1
28	18	27	1
29	18	28	1
30	19	20	1
31	20	29	1
32	20	30	1
33	20	31	1
34	21	33	1
35	21	34	1
36	21	35	1
37	22	36	1
38	22	37	1
39	22	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1