@<TRIPOS>MOLECULE
71586848
36 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.7844     1.3446    -1.0854	O.3	1	noname	-0.2763
2	O2     4.8737     2.6676    -1.7368	O.3	1	noname	-0.2001
3	O3     6.1129     3.0465     0.1053	O.2	1	noname	-0.2550
4	O4     4.8185     4.8407    -4.2335	O.2	1	noname	-0.2909
5	C1     1.7735    -1.0017     0.0523	C.3	1	noname	0.0206
6	C2     3.1077    -0.5012     0.3705	C.2	1	noname	-0.0231
7	C3     3.5695     0.6699    -0.2188	C.2	1	noname	0.0398
8	C4     4.8397     1.1464     0.0842	C.2	1	noname	0.0091
9	C5     3.9160    -1.1959     1.2627	C.2	1	noname	-0.0335
10	C6     1.8554    -1.9424    -1.1516	C.3	1	noname	-0.0586
11	C7     1.2134    -1.7617     1.2562	C.3	1	noname	-0.0586
12	C8     5.6480     0.4517     0.9764	C.2	1	noname	-0.0057
13	C9     5.1862    -0.7194     1.5657	C.2	1	noname	-0.0648
14	C10     6.9821     0.9521     1.2946	C.3	1	noname	0.0100
15	C11     5.3015     2.3175    -0.5051	C.2	1	noname	0.0979
16	C12     5.7198     3.4178    -2.5957	C.3	1	noname	0.1149
17	C13     5.0325     3.6673    -3.8594	C.2	1	noname	0.1494
18	C14     4.5952     2.5463    -4.6862	C.3	1	noname	-0.0032
19	H1     1.1183    -0.1637    -0.1853	H	1	noname	0.0347
20	H2     3.5771    -2.0553     1.6952	H	1	noname	0.0626
21	H3     0.8594    -2.3160    -1.3891	H	1	noname	0.0236
22	H4     2.5107    -2.7804    -0.9139	H	1	noname	0.0236
23	H5     2.2545    -1.4009    -2.0093	H	1	noname	0.0236
24	H6     0.2173    -2.1353     1.0187	H	1	noname	0.0236
25	H7     1.1550    -1.0915     2.1139	H	1	noname	0.0236
26	H8     1.8686    -2.5997     1.4939	H	1	noname	0.0236
27	H9     5.7794    -1.2292     2.2204	H	1	noname	0.0625
28	H10     7.0501     1.1510     2.3641	H	1	noname	0.0280
29	H11     7.7261     0.2059     1.0158	H	1	noname	0.0280
30	H12     7.1662     1.8731     0.7414	H	1	noname	0.0280
31	H13     2.1943     0.7150    -1.5498	H	1	noname	0.2182
32	H14     5.9669     4.3682    -2.1227	H	1	noname	0.0655
33	H15     6.6352     2.8570    -2.7844	H	1	noname	0.0655
34	H16     3.8943     1.9306    -4.1224	H	1	noname	0.0311
35	H17     4.1055     2.9256    -5.5831	H	1	noname	0.0311
36	H18     5.4592     1.9456    -4.9705	H	1	noname	0.0311
@<TRIPOS>BOND
1	1	7	1
2	1	31	1
3	2	15	1
4	2	16	1
5	3	15	2
6	4	17	2
7	5	6	1
8	5	10	1
9	5	11	1
10	5	19	1
11	6	7	2
12	6	9	1
13	7	8	1
14	8	12	2
15	8	15	1
16	9	13	2
17	9	20	1
18	10	21	1
19	10	22	1
20	10	23	1
21	11	24	1
22	11	25	1
23	11	26	1
24	12	13	1
25	12	14	1
26	13	27	1
27	14	28	1
28	14	29	1
29	14	30	1
30	16	17	1
31	16	32	1
32	16	33	1
33	17	18	1
34	18	34	1
35	18	35	1
36	18	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1