@<TRIPOS>MOLECULE
71587090
34 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -2.0701     0.9569     3.5954	S	1	noname	-0.0505
2	O1     0.1500    -3.9125     1.2606	O.2	1	noname	-0.2886
3	O2    -1.1612    -3.0123    -3.8438	O.2	1	noname	-0.2889
4	O3    -1.3585     0.0964     4.8640	O.3	1	noname	-0.1489
5	O4    -3.5695     1.3219     3.9781	O.2	1	noname	-0.1691
6	O5    -1.2490     2.2935     3.3355	O.2	1	noname	-0.1691
7	N1    -1.8555    -2.3934    -1.1909	N.3	1	noname	0.0035
8	N2     1.1552    -4.3142    -1.5250	N.3	1	noname	-0.0018
9	C1    -0.8027    -3.1424    -0.8705	C.2	1	noname	0.0128
10	C2     0.0140    -3.6815    -1.7977	C.2	1	noname	0.0122
11	C3    -1.2805    -1.9403     0.9129	C.2	1	noname	0.0114
12	C4    -2.0754    -1.5518    -0.1858	C.2	1	noname	0.0475
13	C5    -0.5271    -3.1335     0.5556	C.2	1	noname	0.0820
14	C6     0.9860    -4.1761    -3.7371	C.2	1	noname	-0.0181
15	C7     1.7560    -4.6337    -2.6689	C.2	1	noname	0.0100
16	C8    -0.2084    -3.5379    -3.2287	C.2	1	noname	0.0783
17	C9    -1.2531    -1.1928     2.1230	C.2	1	noname	0.0638
18	C10    -2.0603    -0.0136     2.1634	C.2	1	noname	0.0139
19	C11    -2.8911    -0.3869    -0.1607	C.2	1	noname	-0.0169
20	C12    -2.8612     0.3814     1.0436	C.2	1	noname	0.0423
21	C13     1.3935    -4.3165    -5.0893	C.2	1	noname	-0.0189
22	C14     2.9802    -5.3221    -2.8718	C.2	1	noname	-0.0463
23	C15     2.5975    -5.0479    -5.3205	C.2	1	noname	-0.0706
24	C16     3.3781    -5.5494    -4.2241	C.2	1	noname	-0.0417
25	H1    -1.6610    -1.8903    -1.9971	H	1	noname	0.1344
26	H2     1.7329    -3.7309    -1.0083	H	1	noname	0.1344
27	H3    -0.6870    -1.4830     2.9203	H	1	noname	0.0648
28	H4    -3.4657    -0.1150    -0.9584	H	1	noname	0.0640
29	H5    -3.4229     1.2305     1.1073	H	1	noname	0.0640
30	H6     0.8540    -3.9156    -5.8564	H	1	noname	0.0630
31	H7     3.5498    -5.6399    -2.0876	H	1	noname	0.0639
32	H8     2.9076    -5.2166    -6.2774	H	1	noname	0.0622
33	H9     4.2303    -6.0764    -4.4146	H	1	noname	0.0623
34	H10    -1.6629     0.4645     5.7197	H	1	noname	0.2388
@<TRIPOS>BOND
1	1	4	1
2	1	5	2
3	1	6	2
4	1	18	1
5	2	13	2
6	3	16	2
7	4	34	1
8	7	9	1
9	7	12	1
10	7	25	1
11	8	10	1
12	8	15	1
13	8	26	1
14	9	10	2
15	9	13	1
16	10	16	1
17	11	12	2
18	11	13	1
19	11	17	1
20	12	19	1
21	14	15	1
22	14	16	1
23	14	21	2
24	15	22	2
25	17	18	2
26	17	27	1
27	18	20	1
28	19	20	2
29	19	28	1
30	20	29	1
31	21	23	1
32	21	30	1
33	22	24	1
34	22	31	1
35	23	24	2
36	23	32	1
37	24	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1