@<TRIPOS>MOLECULE
67192537
36 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.0514     2.5174     2.0929	O.3	1	noname	-0.2071
2	O2    -4.7195     2.8055     3.5785	O.2	1	noname	-0.2542
3	C1    -0.5612     1.5812    -0.5481	C.3	1	noname	-0.0392
4	C2    -1.5599     1.5450    -1.7582	C.3	1	noname	-0.0503
5	C3     0.8989     2.0761    -0.8240	C.3	1	noname	-0.0503
6	C4     1.3652     1.9516    -2.3044	C.3	1	noname	-0.0530
7	C5    -1.1692     2.4701    -2.9543	C.3	1	noname	-0.0530
8	C6     0.3325     2.4218    -3.3827	C.3	1	noname	-0.0533
9	C7    -1.1704     2.4003     0.5916	C.3	1	noname	-0.0261
10	C8    -2.4860     1.7573     1.0352	C.3	1	noname	0.0567
11	C9    -4.2218     2.1363     2.6473	C.2	1	noname	0.1399
12	C10    -4.9063     0.9426     2.1593	C.3	1	noname	0.0334
13	C11    -6.2926     1.3267     1.6384	C.3	1	noname	-0.0468
14	C12    -7.0099     0.0757     1.1270	C.3	1	noname	-0.0649
15	H1    -0.5373     0.5441    -0.2136	H	1	noname	0.0303
16	H2    -2.5606     1.8028    -1.4113	H	1	noname	0.0269
17	H3    -1.5255     0.5262    -2.1442	H	1	noname	0.0269
18	H4     0.9997     3.1110    -0.4971	H	1	noname	0.0269
19	H5     1.5908     1.5308    -0.1820	H	1	noname	0.0269
20	H6    -1.7997     2.2394    -3.8130	H	1	noname	0.0266
21	H7    -1.3419     3.4883    -2.6056	H	1	noname	0.0266
22	H8     1.6591     0.9218    -2.5074	H	1	noname	0.0266
23	H9     2.2911     2.5123    -2.4325	H	1	noname	0.0266
24	H10     0.4356     1.8071    -4.2770	H	1	noname	0.0266
25	H11     0.5807     3.4437    -3.6695	H	1	noname	0.0266
26	H12    -1.3608     3.4167     0.2472	H	1	noname	0.0293
27	H13    -0.4768     2.4254     1.4321	H	1	noname	0.0293
28	H14    -3.1796     1.7321     0.1947	H	1	noname	0.0573
29	H15    -2.2956     0.7408     1.3797	H	1	noname	0.0573
30	H16    -5.0099     0.2249     2.9732	H	1	noname	0.0372
31	H17    -4.3260     0.4954     1.3523	H	1	noname	0.0372
32	H18    -6.8730     1.7739     2.4455	H	1	noname	0.0269
33	H19    -6.1890     2.0443     0.8246	H	1	noname	0.0269
34	H20    -7.9976     0.3494     0.7559	H	1	noname	0.0230
35	H21    -7.1136    -0.6419     1.9409	H	1	noname	0.0230
36	H22    -6.4296    -0.3715     0.3200	H	1	noname	0.0230
@<TRIPOS>BOND
1	1	10	1
2	1	11	1
3	2	11	2
4	3	4	1
5	3	5	1
6	3	9	1
7	3	15	1
8	4	7	1
9	4	16	1
10	4	17	1
11	5	6	1
12	5	18	1
13	5	19	1
14	6	8	1
15	6	22	1
16	6	23	1
17	7	8	1
18	7	20	1
19	7	21	1
20	8	24	1
21	8	25	1
22	9	10	1
23	9	26	1
24	9	27	1
25	10	28	1
26	10	29	1
27	11	12	1
28	12	13	1
29	12	30	1
30	12	31	1
31	13	14	1
32	13	32	1
33	13	33	1
34	14	34	1
35	14	35	1
36	14	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1