@<TRIPOS>MOLECULE
71586808
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.6037     2.8555     2.7564	O.2	1	noname	-0.3006
2	C1     0.4635     1.3279    -1.0638	C.3	1	noname	-0.0035
3	C2     1.1405     2.6384    -0.4176	C.3	1	noname	-0.0275
4	C3    -0.0505     1.5968    -2.5455	C.3	1	noname	-0.0334
5	C4    -0.7317     0.8726    -0.2740	C.2	1	noname	-0.0287
6	C5    -1.0312     0.5192    -3.1349	C.3	1	noname	-0.0017
7	C6     1.2209     2.5469     1.1347	C.3	1	noname	0.0136
8	C7     1.4774     0.1210    -1.1374	C.3	1	noname	-0.0552
9	C8     2.5786     3.0495    -0.8512	C.3	1	noname	-0.0612
10	C9    -1.6766     0.0201    -0.7792	C.2	1	noname	-0.0570
11	C10    -0.9526     1.3057     0.9798	C.2	1	noname	0.0293
12	C11    -1.8279    -0.1516    -2.1055	C.2	1	noname	-0.0700
13	C12    -0.1772     2.2840     1.7297	C.2	1	noname	0.0959
14	C13    -1.9032     1.1373    -4.0850	C.2	1	noname	-0.0825
15	C14    -2.4122     0.3804    -5.1864	C.3	1	noname	-0.0436
16	C15    -2.2407     2.4160    -3.9443	C.2	1	noname	-0.0905
17	H1     0.5447     3.5360    -0.6396	H	1	noname	0.0313
18	H2    -0.5186     2.5799    -2.5949	H	1	noname	0.0285
19	H3     0.8108     1.6905    -3.2070	H	1	noname	0.0285
20	H4    -0.4636    -0.2587    -3.6456	H	1	noname	0.0392
21	H5     1.6158     3.4812     1.5338	H	1	noname	0.0353
22	H6     1.8450     1.6787     1.3460	H	1	noname	0.0353
23	H7     0.9818    -0.7435    -1.5793	H	1	noname	0.0239
24	H8     1.8175    -0.1296    -0.1326	H	1	noname	0.0239
25	H9     2.3331     0.4022    -1.7511	H	1	noname	0.0239
26	H10     2.8749     3.9525    -0.3175	H	1	noname	0.0234
27	H11     2.5940     3.2401    -1.9243	H	1	noname	0.0234
28	H12     3.2736     2.2435    -0.6154	H	1	noname	0.0234
29	H13    -2.2607    -0.4804    -0.1559	H	1	noname	0.0622
30	H14    -1.7326     0.9141     1.4471	H	1	noname	0.0662
31	H15    -2.5312    -0.7791    -2.4081	H	1	noname	0.0582
32	H16    -2.9887    -0.4649    -4.8108	H	1	noname	0.0276
33	H17    -3.0538     1.0150    -5.7976	H	1	noname	0.0276
34	H18    -1.5819     0.0143    -5.7902	H	1	noname	0.0276
35	H19    -2.8444     2.8439    -4.6020	H	1	noname	0.0537
36	H20    -1.8883     2.9400    -3.1818	H	1	noname	0.0537
@<TRIPOS>BOND
1	1	13	2
2	2	3	1
3	2	4	1
4	2	5	1
5	2	8	1
6	3	7	1
7	3	9	1
8	3	17	1
9	4	6	1
10	4	18	1
11	4	19	1
12	5	10	1
13	5	11	2
14	6	12	1
15	6	14	1
16	6	20	1
17	7	13	1
18	7	21	1
19	7	22	1
20	8	23	1
21	8	24	1
22	8	25	1
23	9	26	1
24	9	27	1
25	9	28	1
26	10	12	2
27	10	29	1
28	11	13	1
29	11	30	1
30	12	31	1
31	14	15	1
32	14	16	2
33	15	32	1
34	15	33	1
35	15	34	1
36	16	35	1
37	16	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1