@<TRIPOS>MOLECULE
101627490
35 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.7307    -2.0769     3.6095	O.3	1	noname	-0.3759
2	O2    -0.8201    -1.0719     1.1423	O.3	1	noname	-0.2037
3	O3    -1.3253    -3.1988     7.0563	O.3	1	noname	-0.3909
4	O4    -1.2518    -1.6851    -0.9814	O.2	1	noname	-0.2581
5	C1    -2.1882    -0.9828     1.5121	C.3	1	noname	0.0882
6	C2    -2.3009    -0.9097     3.0362	C.3	1	noname	0.0734
7	C3    -1.8352    -2.0090     5.0241	C.3	1	noname	0.0725
8	C4    -1.2208    -3.2667     5.6418	C.3	1	noname	0.0746
9	C5    -2.8027     0.2749     0.8943	C.3	1	noname	-0.0357
10	C6    -1.9678    -4.5016     5.1339	C.3	1	noname	-0.0367
11	C7    -0.4768    -1.1476    -0.1611	C.2	1	noname	0.0883
12	C8     0.7387    -0.6279    -0.5909	C.2	1	noname	-0.0033
13	C9     1.8294    -0.6076     0.2705	C.2	1	noname	-0.0059
14	C10     0.8633    -0.1285    -1.8821	C.2	1	noname	-0.0059
15	C11     3.0448    -0.0879    -0.1594	C.2	1	noname	-0.0428
16	C12     2.0788     0.3912    -2.3119	C.2	1	noname	-0.0428
17	C13     3.1695     0.4115    -1.4506	C.2	1	noname	-0.0355
18	H1    -2.7205    -1.8626     1.1503	H	1	noname	0.0631
19	H2    -3.3511    -0.8413     3.3200	H	1	noname	0.0593
20	H3    -1.7687    -0.0299     3.3980	H	1	noname	0.0593
21	H4    -2.8854    -1.9406     5.3079	H	1	noname	0.0593
22	H5    -1.3030    -1.1293     5.3859	H	1	noname	0.0593
23	H6    -0.1706    -3.3351     5.3580	H	1	noname	0.0621
24	H7    -3.8528     0.3432     1.1782	H	1	noname	0.0258
25	H8    -2.7224     0.2227    -0.1914	H	1	noname	0.0258
26	H9    -2.2705     1.1546     1.2562	H	1	noname	0.0258
27	H10    -1.8876    -4.5537     4.0481	H	1	noname	0.0257
28	H11    -3.0180    -4.4332     5.4177	H	1	noname	0.0257
29	H12    -1.5301    -5.3976     5.5740	H	1	noname	0.0257
30	H13    -0.8468    -2.4079     7.3817	H	1	noname	0.2105
31	H14     1.7379    -0.9740     1.2180	H	1	noname	0.0631
32	H15     0.0629    -0.1435    -2.5142	H	1	noname	0.0631
33	H16     3.8452    -0.0729     0.4727	H	1	noname	0.0622
34	H17     2.1702     0.7576    -3.2594	H	1	noname	0.0622
35	H18     4.0614     0.7929    -1.7660	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	6	1
2	1	7	1
3	2	5	1
4	2	11	1
5	3	8	1
6	3	30	1
7	4	11	2
8	5	6	1
9	5	9	1
10	5	18	1
11	6	19	1
12	6	20	1
13	7	8	1
14	7	21	1
15	7	22	1
16	8	10	1
17	8	23	1
18	9	24	1
19	9	25	1
20	9	26	1
21	10	27	1
22	10	28	1
23	10	29	1
24	11	12	1
25	12	13	2
26	12	14	1
27	13	15	1
28	13	31	1
29	14	16	2
30	14	32	1
31	15	17	2
32	15	33	1
33	16	17	1
34	16	34	1
35	17	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1