@<TRIPOS>MOLECULE
70566040
40 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.9576     0.0753     3.7727	O.3	1	noname	-0.3886
2	C1     0.0220     1.2535    -1.2345	C.3	1	noname	-0.0311
3	C2     0.9297     0.8301    -0.0741	C.3	1	noname	-0.0262
4	C3     0.3704     2.0096     0.7811	C.3	1	noname	-0.0164
5	C4    -0.3000     2.5628    -0.4856	C.3	1	noname	-0.0409
6	C5     0.6717    -0.6249     0.4550	C.3	1	noname	-0.0308
7	C6     0.8779     1.5662    -2.4636	C.3	1	noname	-0.0596
8	C7    -1.1981     0.3453    -1.3999	C.3	1	noname	-0.0596
9	C8     1.3458     3.0135     1.4680	C.2	1	noname	-0.0827
10	C9     2.4279     2.5344     2.4904	C.3	1	noname	-0.0292
11	C10     1.0039    -0.6093     1.8564	C.2	1	noname	-0.0709
12	C11     2.0318     1.5714     3.6553	C.3	1	noname	-0.0194
13	C12     2.2718    -0.4052     2.2273	C.2	1	noname	-0.0608
14	C13     2.5555     0.0969     3.5490	C.3	1	noname	0.0751
15	C14     1.2554     4.3082     1.1775	C.2	1	noname	-0.0906
16	C15     3.3406    -0.6832     1.3188	C.3	1	noname	-0.0414
17	H1     1.9842     0.9658    -0.3605	H	1	noname	0.0317
18	H2    -0.4184     1.7138     1.4823	H	1	noname	0.0352
19	H3    -1.3758     2.6347    -0.3256	H	1	noname	0.0278
20	H4     0.2235     3.4252    -0.8984	H	1	noname	0.0278
21	H5    -0.3826    -0.8739     0.3343	H	1	noname	0.0313
22	H6     1.3209    -1.2855    -0.1198	H	1	noname	0.0313
23	H7     0.2325     1.8673    -3.2887	H	1	noname	0.0236
24	H8     1.5689     2.3758    -2.2287	H	1	noname	0.0236
25	H9     1.4421     0.6783    -2.7489	H	1	noname	0.0236
26	H10    -1.8015     0.6963    -2.2370	H	1	noname	0.0236
27	H11    -1.7942     0.3678    -0.4876	H	1	noname	0.0236
28	H12    -0.8677    -0.6754    -1.5929	H	1	noname	0.0236
29	H13     2.9523     3.3994     2.8964	H	1	noname	0.0313
30	H14     3.0925     1.9115     1.8918	H	1	noname	0.0313
31	H15     0.2999    -0.7483     2.5384	H	1	noname	0.0576
32	H16     0.9478     1.5647     3.7685	H	1	noname	0.0299
33	H17     2.5143     1.9177     4.5693	H	1	noname	0.0299
34	H18     2.0521    -0.4926     4.3152	H	1	noname	0.0648
35	H19     1.8688     4.9559     1.6069	H	1	noname	0.0537
36	H20     0.5747     4.6243     0.5320	H	1	noname	0.0537
37	H21     3.5609     0.2093     0.7331	H	1	noname	0.0277
38	H22     3.0481    -1.4932     0.6507	H	1	noname	0.0277
39	H23     4.2273    -0.9775     1.8802	H	1	noname	0.0277
40	H24     4.1512     0.4270     4.6666	H	1	noname	0.2108
@<TRIPOS>BOND
1	1	14	1
2	1	40	1
3	2	3	1
4	2	5	1
5	2	7	1
6	2	8	1
7	3	4	1
8	3	6	1
9	3	17	1
10	4	5	1
11	4	9	1
12	4	18	1
13	5	19	1
14	5	20	1
15	6	11	1
16	6	21	1
17	6	22	1
18	7	23	1
19	7	24	1
20	7	25	1
21	8	26	1
22	8	27	1
23	8	28	1
24	9	10	1
25	9	15	2
26	10	12	1
27	10	29	1
28	10	30	1
29	11	13	2
30	11	31	1
31	12	14	1
32	12	32	1
33	12	33	1
34	13	14	1
35	13	16	1
36	14	34	1
37	15	35	1
38	15	36	1
39	16	37	1
40	16	38	1
41	16	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1