@<TRIPOS>MOLECULE
72941743
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     6.5512     1.2895    -1.9279	O.3	1	noname	-0.3933
2	O2    -3.8856     3.1905    -2.5962	O.3	1	noname	-0.2769
3	C1     3.3461     1.8831    -0.0766	C.3	1	noname	0.0074
4	C2     4.2951     1.8280    -1.2755	C.3	1	noname	-0.0232
5	C3     2.0337     2.3482    -0.5158	C.2	1	noname	-0.0528
6	C4     5.6704     1.3406    -0.8152	C.3	1	noname	0.0516
7	C5    -0.1731     1.8749    -1.3539	C.2	1	noname	-0.0515
8	C6     1.0764     1.4321    -0.9358	C.2	1	noname	-0.0531
9	C7    -0.4653     3.2338    -1.3520	C.2	1	noname	-0.0393
10	C8     1.7415     3.7072    -0.5139	C.2	1	noname	-0.0595
11	C9     0.4920     4.1500    -0.9320	C.2	1	noname	-0.0467
12	C10     5.5385    -0.0560    -0.2046	C.3	1	noname	-0.0389
13	C11    -1.1304     0.9587    -1.7739	C.2	1	noname	-0.0378
14	C12    -1.7148     3.6766    -1.7701	C.2	1	noname	-0.0186
15	C13    -2.6721     2.7605    -2.1901	C.2	1	noname	0.0043
16	C14    -2.3799     1.4015    -2.1920	C.2	1	noname	-0.0259
17	C15    -4.7664     3.2417    -1.4836	C.3	1	noname	0.0423
18	H1     3.7438     2.5702     0.6703	H	1	noname	0.0317
19	H2     3.2521     0.8881     0.3584	H	1	noname	0.0317
20	H3     4.3891     2.8230    -1.7105	H	1	noname	0.0296
21	H4     3.8974     1.1410    -2.0224	H	1	noname	0.0296
22	H5     6.0681     2.0276    -0.0683	H	1	noname	0.0597
23	H6     1.2908     0.4349    -0.9371	H	1	noname	0.0632
24	H7     2.4439     4.3794    -0.2057	H	1	noname	0.0625
25	H8     0.2776     5.1472    -0.9306	H	1	noname	0.0629
26	H9     4.8624    -0.0168     0.6495	H	1	noname	0.0256
27	H10     5.1408    -0.7431    -0.9515	H	1	noname	0.0256
28	H11     6.5183    -0.4033     0.1233	H	1	noname	0.0256
29	H12    -0.9160    -0.0385    -1.7753	H	1	noname	0.0630
30	H13    -1.9292     4.6738    -1.7688	H	1	noname	0.0656
31	H14    -3.0823     0.7293    -2.5002	H	1	noname	0.0650
32	H15     6.6357     2.1840    -2.3190	H	1	noname	0.2104
33	H16    -5.7462     3.5889    -1.8114	H	1	noname	0.0535
34	H17    -4.8603     2.2467    -1.0485	H	1	noname	0.0535
35	H18    -4.3686     3.9287    -0.7366	H	1	noname	0.0535
@<TRIPOS>BOND
1	6	1	1
2	1	32	1
3	2	15	1
4	2	17	1
5	3	4	1
6	3	5	1
7	3	18	1
8	3	19	1
9	4	6	1
10	4	20	1
11	4	21	1
12	5	8	2
13	5	10	1
14	6	12	1
15	6	22	1
16	7	8	1
17	7	9	2
18	7	13	1
19	8	23	1
20	9	11	1
21	9	14	1
22	10	11	2
23	10	24	1
24	11	25	1
25	12	26	1
26	12	27	1
27	12	28	1
28	13	16	2
29	13	29	1
30	14	15	2
31	14	30	1
32	15	16	1
33	16	31	1
34	17	33	1
35	17	34	1
36	17	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1