@<TRIPOS>MOLECULE
57374611
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     9.1986    -5.5799     1.8826	S	1	noname	-0.1222
2	O1    10.2750    -5.3572     0.7337	O.2	1	noname	-0.1997
3	O2     9.9420    -5.9117     3.2483	O.2	1	noname	-0.1997
4	O3     6.1138     2.2613    -0.4729	O.2	1	noname	-0.2836
5	N1     5.3798     1.4626     1.4909	N.3	1	noname	-0.0669
6	N2     8.1616    -6.8994     1.4543	N.3	1	noname	-0.0107
7	N3     3.4974     3.5265     1.3866	N.2	1	noname	-0.2104
8	N4     4.3511     5.8771     0.2917	N.2	1	noname	-0.2269
9	C1     5.9400    -0.6216     2.5443	C.3	1	noname	-0.0148
10	C2     6.7369    -1.8342     2.3824	C.2	1	noname	-0.0238
11	C3     6.1494     0.2916     1.3346	C.3	1	noname	0.0071
12	C4     8.2543    -4.1430     2.0743	C.2	1	noname	0.0196
13	C5     6.7091    -2.8199     3.3620	C.2	1	noname	-0.0312
14	C6     7.5234    -2.0028     1.2488	C.2	1	noname	-0.0312
15	C7     7.4679    -3.9744     3.2080	C.2	1	noname	0.0132
16	C8     8.2821    -3.1573     1.0947	C.2	1	noname	0.0132
17	C9     5.4066     2.4129     0.5466	C.2	1	noname	0.0485
18	C10     4.6479     3.5674     0.7006	C.2	1	noname	0.0744
19	C11     5.0825     4.7642     0.1432	C.2	1	noname	0.0529
20	C12     2.7660     4.6394     1.5351	C.2	1	noname	0.0430
21	C13     3.2006     5.8362     0.9776	C.2	1	noname	0.0285
22	C14     1.5126     4.5948     2.2824	C.3	1	noname	0.0417
23	H1     4.8856    -0.8873     2.6207	H	1	noname	0.0329
24	H2     6.2501    -0.1012     3.4504	H	1	noname	0.0329
25	H3     5.8393    -0.2288     0.4285	H	1	noname	0.0436
26	H4     7.2038     0.5572     1.2582	H	1	noname	0.0436
27	H5     6.1320    -2.6962     4.1939	H	1	noname	0.0626
28	H6     7.5437    -1.2794     0.5300	H	1	noname	0.0626
29	H7     7.4475    -4.6978     3.9268	H	1	noname	0.0639
30	H8     8.8592    -3.2810     0.2629	H	1	noname	0.0639
31	H9     4.8310     1.5803     2.2820	H	1	noname	0.1313
32	H10     7.1862    -6.6187     1.5737	H	1	noname	0.1404
33	H11     8.3620    -7.6998     2.0574	H	1	noname	0.1404
34	H12     5.9582     4.7953    -0.3789	H	1	noname	0.0864
35	H13     2.6439     6.6834     1.0907	H	1	noname	0.0858
36	H14     0.8295     3.8926     1.8047	H	1	noname	0.0296
37	H15     1.0623     5.5874     2.2962	H	1	noname	0.0296
38	H16     1.7102     4.2713     3.3044	H	1	noname	0.0296
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	6	1
4	1	12	1
5	4	17	2
6	5	11	1
7	5	17	1
8	5	31	1
9	6	32	1
10	6	33	1
11	7	18	2
12	7	20	1
13	8	19	2
14	8	21	1
15	9	10	1
16	9	11	1
17	9	23	1
18	9	24	1
19	10	13	2
20	10	14	1
21	11	25	1
22	11	26	1
23	12	15	2
24	12	16	1
25	13	15	1
26	13	27	1
27	14	16	2
28	14	28	1
29	15	29	1
30	16	30	1
31	17	18	1
32	18	19	1
33	19	34	1
34	20	21	2
35	20	22	1
36	21	35	1
37	22	36	1
38	22	37	1
39	22	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1