@<TRIPOS>MOLECULE
71587822
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.4084    -2.0077    -0.1287	S	1	noname	-0.1212
2	O1     2.7181    -2.9089    -0.1552	O.2	1	noname	-0.1997
3	O2     0.3275    -2.6717     0.8298	O.2	1	noname	-0.1997
4	O3     2.3313     7.3130    -1.4493	O.3	1	noname	-0.2170
5	O4     3.1318     5.2166    -1.2577	O.2	1	noname	-0.2565
6	N1     2.7906     4.2417     1.0681	N.2	1	noname	-0.1671
7	N2     2.7461     3.2979     1.8400	N.2	1	noname	-0.1670
8	N3     3.3109     4.5888     3.7077	N.3	1	noname	-0.1387
9	N4     0.7609    -1.8829    -1.7302	N.3	1	noname	-0.0107
10	N5     4.0385     9.1914     2.9048	N.3	1	noname	-0.1528
11	C1     1.8064    -0.4292     0.4570	C.2	1	noname	0.0298
12	C2     3.0908     5.4323     1.5100	C.2	1	noname	0.0048
13	C3     3.1415     6.5076     0.6305	C.2	1	noname	0.0382
14	C4     3.3598     5.6253     2.8599	C.2	1	noname	0.0281
15	C5     2.4459     2.1072     1.3982	C.2	1	noname	0.0373
16	C6     3.7303     7.9688     2.4511	C.2	1	noname	-0.0116
17	C7     1.2886     0.6967    -0.1725	C.2	1	noname	0.0296
18	C8     2.6440    -0.2869     1.5571	C.2	1	noname	0.0296
19	C9     3.4613     7.7758     1.1011	C.2	1	noname	-0.0351
20	C10     3.6796     6.8936     3.3305	C.2	1	noname	-0.0420
21	C11     1.6083     1.9649     0.2981	C.2	1	noname	0.0180
22	C12     2.9637     0.9814     2.0277	C.2	1	noname	0.0180
23	C13     2.8725     6.3146    -0.7195	C.2	1	noname	0.0987
24	H1     0.6739     0.5922    -0.9798	H	1	noname	0.0640
25	H2     3.0240    -1.1131     2.0191	H	1	noname	0.0640
26	H3     3.4985     8.5649     0.4558	H	1	noname	0.0648
27	H4     3.8770     7.0352     4.3212	H	1	noname	0.0656
28	H5     1.2283     2.7911    -0.1639	H	1	noname	0.0646
29	H6     3.5784     1.0858     2.8350	H	1	noname	0.0646
30	H7     3.5228     4.8937     4.6038	H	1	noname	0.1243
31	H8     2.4199     4.2055     3.6988	H	1	noname	0.1243
32	H9    -0.2601    -1.8837    -1.6859	H	1	noname	0.1404
33	H10     1.0783    -2.6777    -2.2889	H	1	noname	0.1404
34	H11     4.0300     9.8216     2.1674	H	1	noname	0.1242
35	H12     3.3870     9.4633     3.5700	H	1	noname	0.1242
36	H13     2.5294     7.3833    -2.4065	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	9	1
4	1	11	1
5	4	23	1
6	4	36	1
7	5	23	2
8	6	7	2
9	6	12	1
10	7	15	1
11	8	14	1
12	8	30	1
13	8	31	1
14	9	32	1
15	9	33	1
16	10	16	1
17	10	34	1
18	10	35	1
19	11	17	2
20	11	18	1
21	12	13	2
22	12	14	1
23	13	19	1
24	13	23	1
25	14	20	2
26	15	21	2
27	15	22	1
28	16	19	2
29	16	20	1
30	17	21	1
31	17	24	1
32	18	22	2
33	18	25	1
34	19	26	1
35	20	27	1
36	21	28	1
37	22	29	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1