@<TRIPOS>MOLECULE
119025670
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.0910     0.7559     3.1348	O.3	1	noname	-0.2692
2	O2    -1.3024     2.8167     1.0671	O.3	1	noname	-0.2821
3	O3     0.8147    -2.8987     3.0712	O.3	1	noname	-0.2740
4	O4     2.1154    -0.3885    -1.2119	O.2	1	noname	-0.2709
5	O5     0.7252     1.2731    -2.7462	O.2	1	noname	-0.2698
6	O6    -0.5019     5.2878    -0.3427	O.2	1	noname	-0.2990
7	C1    -0.4916     0.5963     1.0804	C.2	1	noname	0.0322
8	C2     0.5331    -0.2304     0.5084	C.2	1	noname	0.0264
9	C3    -0.4511     2.0341    -0.8897	C.2	1	noname	0.0987
10	C4    -0.7935     1.8026     0.3998	C.2	1	noname	0.0167
11	C5    -1.1177     0.1725     2.3191	C.2	1	noname	0.0452
12	C6    -0.8438     3.2879    -1.5507	C.3	1	noname	0.0376
13	C7     1.0785     0.1351    -0.7618	C.2	1	noname	0.1344
14	C8     0.4271     1.1381    -1.5342	C.2	1	noname	0.1480
15	C9     0.9745    -1.4023     1.1946	C.2	1	noname	0.0121
16	C10     0.3859    -1.7796     2.4075	C.2	1	noname	0.0276
17	C11    -0.6528    -1.0119     2.9442	C.2	1	noname	0.0280
18	C12    -0.0082     4.4080    -1.0786	C.2	1	noname	0.1336
19	C13     1.4365     4.4564    -1.3701	C.3	1	noname	-0.0054
20	C14    -3.1601     1.6125     2.7462	C.3	1	noname	0.0423
21	C15     1.8601    -2.5471     3.9656	C.3	1	noname	0.0423
22	H1    -1.8911     3.4998    -1.3349	H	1	noname	0.0398
23	H2    -0.5947     3.1571    -2.6037	H	1	noname	0.0398
24	H3     1.7200    -1.9983     0.8146	H	1	noname	0.0658
25	H4    -1.0695    -1.3166     3.8258	H	1	noname	0.0678
26	H5    -0.9826     2.7918     1.9931	H	1	noname	0.2182
27	H6     1.5872     4.5529    -2.4453	H	1	noname	0.0310
28	H7     1.8811     5.3125    -0.8626	H	1	noname	0.0310
29	H8     1.9091     3.5395    -1.0178	H	1	noname	0.0310
30	H9    -3.7389     1.8932     3.6261	H	1	noname	0.0535
31	H10    -3.8045     1.0911     2.0385	H	1	noname	0.0535
32	H11    -2.7551     2.5089     2.2765	H	1	noname	0.0535
33	H12     2.2013    -3.4376     4.4937	H	1	noname	0.0535
34	H13     1.4919    -1.8164     4.6857	H	1	noname	0.0535
35	H14     2.6897    -2.1176     3.4040	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	11	1
2	1	20	1
3	2	10	1
4	2	26	1
5	3	16	1
6	3	21	1
7	4	13	2
8	5	14	2
9	6	18	2
10	7	8	2
11	7	10	1
12	7	11	1
13	8	13	1
14	8	15	1
15	9	10	2
16	9	12	1
17	9	14	1
18	11	17	2
19	12	18	1
20	12	22	1
21	12	23	1
22	13	14	1
23	15	16	2
24	15	24	1
25	16	17	1
26	17	25	1
27	18	19	1
28	19	27	1
29	19	28	1
30	19	29	1
31	20	30	1
32	20	31	1
33	20	32	1
34	21	33	1
35	21	34	1
36	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1