@<TRIPOS>MOLECULE
71587855
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.8764    -2.2419    -1.8991	O.3	1	noname	-0.3434
2	O2    -2.5339    -3.3501    -0.0279	O.3	1	noname	-0.3461
3	C1    -2.1450    -3.5662    -2.3372	C.3	1	noname	0.0817
4	C2    -2.5664    -4.3233    -1.0747	C.3	1	noname	0.0763
5	C3    -2.6173    -2.0842    -0.6926	C.3	1	noname	0.1774
6	C4    -3.3066    -3.5483    -3.3328	C.3	1	noname	-0.0363
7	C5    -2.0078    -1.0604     0.1010	C.2	1	noname	-0.0359
8	C6    -2.6028    -0.4818     1.1598	C.2	1	noname	-0.0398
9	C7    -2.0658     0.5291     1.9137	C.2	1	noname	-0.0449
10	C8    -0.6730     0.9120     1.8709	C.2	1	noname	-0.0512
11	C9    -3.0093     1.2613     2.7134	C.2	1	noname	-0.0512
12	C10    -0.2333     2.0579     2.6043	C.2	1	noname	-0.0590
13	C11    -2.5702     2.4120     3.4437	C.2	1	noname	-0.0590
14	C12    -1.1937     2.7916     3.3686	C.2	1	noname	-0.0622
15	H1    -1.2448    -3.9765    -2.7947	H	1	noname	0.0625
16	H2    -3.5847    -4.6929    -1.1956	H	1	noname	0.0594
17	H3    -1.8843    -5.1353    -0.8228	H	1	noname	0.0594
18	H4    -3.6481    -1.7883    -0.9422	H	1	noname	0.0971
19	H5    -3.5127    -4.5645    -3.6690	H	1	noname	0.0257
20	H6    -4.1934    -3.1387    -2.8491	H	1	noname	0.0257
21	H7    -3.0413    -2.9289    -4.1896	H	1	noname	0.0257
22	H8    -1.0963    -0.7610    -0.1433	H	1	noname	0.0629
23	H9    -3.5003    -0.8126     1.4147	H	1	noname	0.0627
24	H10    -0.0079     0.3682     1.3210	H	1	noname	0.0628
25	H11    -3.9838     0.9637     2.7603	H	1	noname	0.0628
26	H12     0.7449     2.3460     2.5829	H	1	noname	0.0622
27	H13    -3.2275     2.9511     4.0074	H	1	noname	0.0622
28	H14    -0.8847     3.6181     3.8801	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	3	1
2	1	5	1
3	2	4	1
4	2	5	1
5	3	4	1
6	3	6	1
7	3	15	1
8	4	16	1
9	4	17	1
10	5	7	1
11	5	18	1
12	6	19	1
13	6	20	1
14	6	21	1
15	7	8	2
16	7	22	1
17	8	9	1
18	8	23	1
19	9	10	2
20	9	11	1
21	10	12	1
22	10	24	1
23	11	13	2
24	11	25	1
25	12	14	2
26	12	26	1
27	13	14	1
28	13	27	1
29	14	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1