@<TRIPOS>MOLECULE
71586837
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.3433    -1.4770    -2.4837	O.3	1	noname	-0.2738
2	O2     0.2801     2.8044     1.5616	O.3	1	noname	-0.2090
3	O3     0.5871     0.6127     1.9796	O.2	1	noname	-0.2571
4	N1    -0.4045    -0.9054     0.1902	N.3	1	noname	-0.1240
5	C1     0.0495     0.0100    -0.6766	C.2	1	noname	0.0429
6	C2     0.4876     1.2462    -0.2160	C.2	1	noname	-0.0089
7	C3     0.0823    -0.2765    -2.0364	C.2	1	noname	0.0019
8	C4     0.9585     2.1958    -1.1152	C.2	1	noname	-0.0205
9	C5     0.5532     0.6732    -2.9355	C.2	1	noname	-0.0097
10	C6     0.9913     1.9093    -2.4750	C.2	1	noname	-0.0660
11	C7     0.4548     1.5327     1.1437	C.2	1	noname	0.0895
12	C8    -1.7943    -0.7412     0.3624	C.3	1	noname	-0.0114
13	C9     0.7468    -2.3867    -2.5077	C.3	1	noname	0.0424
14	C10    -0.3702     3.0628     2.7972	C.3	1	noname	0.0457
15	H1     1.2801     3.1029    -0.7772	H	1	noname	0.0631
16	H2     0.5772     0.4629    -3.9334	H	1	noname	0.0650
17	H3    -0.2241    -1.7942    -0.1541	H	1	noname	0.1278
18	H4     1.3369     2.6061    -3.1348	H	1	noname	0.0623
19	H5    -2.1636    -1.4859     1.0675	H	1	noname	0.0395
20	H6    -2.2967    -0.8683    -0.5966	H	1	noname	0.0395
21	H7    -1.9970     0.2575     0.7492	H	1	noname	0.0395
22	H8     0.4032    -3.3560    -2.8688	H	1	noname	0.0535
23	H9     1.1508    -2.4963    -1.5012	H	1	noname	0.0535
24	H10     1.5232    -2.0060    -3.1713	H	1	noname	0.0535
25	H11    -0.4185     4.1388     2.9644	H	1	noname	0.0536
26	H12    -1.3802     2.6539     2.7687	H	1	noname	0.0536
27	H13     0.1888     2.5940     3.6070	H	1	noname	0.0536
@<TRIPOS>BOND
1	1	7	1
2	1	13	1
3	2	11	1
4	2	14	1
5	3	11	2
6	4	5	1
7	4	12	1
8	4	17	1
9	5	6	2
10	5	7	1
11	6	8	1
12	6	11	1
13	7	9	2
14	8	10	2
15	8	15	1
16	9	10	1
17	9	16	1
18	10	18	1
19	12	19	1
20	12	20	1
21	12	21	1
22	13	22	1
23	13	23	1
24	13	24	1
25	14	25	1
26	14	26	1
27	14	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1