@<TRIPOS>MOLECULE
71587337
27 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	C1     1.3391    -3.1103     0.0000	C.3	1	noname	-0.0527
2	C2     2.5153    -2.1174     0.0000	C.3	1	noname	-0.0350
3	C3     1.8798    -4.5416     0.0000	C.3	1	noname	-0.0651
4	C4     2.5057    -0.6413     0.0000	C.2	1	noname	-0.0778
5	C5     1.5288     0.2934    -0.0000	C.2	1	noname	-0.0705
6	C6     0.2097     0.0275    -0.0000	C.2	1	noname	-0.0645
7	C7    -0.8340     0.8784    -0.0000	C.2	1	noname	-0.0627
8	C8    -2.1119     0.4128     0.0000	C.2	1	noname	-0.0629
9	C9    -3.1850     1.1886    -0.0000	C.2	1	noname	-0.0662
10	C10    -3.0491     2.5116    -0.0000	C.2	1	noname	-0.0761
11	C11    -4.1270     3.2908    -0.0000	C.2	1	noname	-0.0882
12	H1     0.7300    -2.9520    -0.8900	H	1	noname	0.0267
13	H2     0.7300    -2.9520     0.8900	H	1	noname	0.0267
14	H3     3.2932    -2.4757    -0.6742	H	1	noname	0.0309
15	H4     3.0317    -2.3375     0.9343	H	1	noname	0.0309
16	H5     1.0469    -5.2447     0.0000	H	1	noname	0.0230
17	H6     2.4889    -4.6998    -0.8900	H	1	noname	0.0230
18	H7     2.4889    -4.6998     0.8900	H	1	noname	0.0230
19	H8     3.4139    -0.2802    -0.0000	H	1	noname	0.0575
20	H9     1.8153     1.2562    -0.0000	H	1	noname	0.0619
21	H10    -0.0533    -0.9127    -0.0000	H	1	noname	0.0622
22	H11    -0.6884     1.8665     0.0000	H	1	noname	0.0622
23	H12    -2.3014    -0.5686     0.0000	H	1	noname	0.0622
24	H13    -4.0884     0.7837    -0.0000	H	1	noname	0.0622
25	H14    -2.1457     2.9164    -0.0000	H	1	noname	0.0616
26	H15    -4.0258     4.2756    -0.0000	H	1	noname	0.0537
27	H16    -5.0304     2.8860    -0.0000	H	1	noname	0.0537
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	1	12	1
4	1	13	1
5	2	4	1
6	2	14	1
7	2	15	1
8	3	16	1
9	3	17	1
10	3	18	1
11	4	5	2
12	4	19	1
13	5	6	1
14	5	20	1
15	6	7	2
16	6	21	1
17	7	8	1
18	7	22	1
19	8	9	2
20	8	23	1
21	9	10	1
22	9	24	1
23	10	11	2
24	10	25	1
25	11	26	1
26	11	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1