@<TRIPOS>MOLECULE
71587838
36 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.0899     0.1349    -0.5263	S.3	1	noname	-0.1266
2	O1     0.2044     2.6645     0.1981	O.3	1	noname	-0.3671
3	C1     1.1317     0.8598    -1.8600	C.3	1	noname	0.0095
4	C2     2.1797     1.8031    -1.2325	C.3	1	noname	-0.0175
5	C3     1.8443    -0.2624    -2.6174	C.3	1	noname	-0.0414
6	C4     0.0099     1.3733     0.8328	C.3	1	noname	0.1066
7	C5     1.5022     2.9223    -0.3966	C.3	1	noname	0.0493
8	C6     0.8053    -1.2006    -3.2349	C.3	1	noname	-0.0551
9	C7    -1.3743     1.3280     1.4831	C.3	1	noname	0.0010
10	C8     1.5179    -2.3228    -3.9924	C.3	1	noname	-0.0653
11	C9    -1.4365     2.2903     2.5391	C.2	1	noname	-0.0863
12	C10    -2.5530     2.4276     3.2487	C.2	1	noname	-0.0874
13	C11    -3.6912     1.6130     2.9557	C.3	1	noname	-0.0379
14	C12    -4.8727     2.5064     2.5726	C.3	1	noname	-0.0619
15	H1     0.4844     1.4594    -2.5000	H	1	noname	0.0418
16	H2     2.7821     2.2531    -2.0216	H	1	noname	0.0301
17	H3     2.8092     1.1957    -0.5822	H	1	noname	0.0301
18	H4     2.4753    -0.8227    -1.9275	H	1	noname	0.0278
19	H5     2.4611     0.1668    -3.4070	H	1	noname	0.0278
20	H6     0.8316     1.1920     1.5256	H	1	noname	0.0725
21	H7     1.4565     3.8384    -0.9854	H	1	noname	0.0567
22	H8     2.2010     3.1153     0.4173	H	1	noname	0.0567
23	H9     0.1885    -1.6298    -2.4454	H	1	noname	0.0264
24	H10     0.1743    -0.6402    -3.9248	H	1	noname	0.0264
25	H11    -2.1343     1.5584     0.7364	H	1	noname	0.0345
26	H12    -1.5531     0.3320     1.8881	H	1	noname	0.0345
27	H13     0.7777    -2.9912    -4.4323	H	1	noname	0.0230
28	H14     2.1489    -2.8832    -3.3025	H	1	noname	0.0230
29	H15     2.1347    -1.8936    -4.7820	H	1	noname	0.0230
30	H16    -0.6485     2.8542     2.7419	H	1	noname	0.0573
31	H17    -2.5960     3.0938     3.9798	H	1	noname	0.0572
32	H18    -3.9517     1.0231     3.8345	H	1	noname	0.0307
33	H19    -3.4565     0.9456     2.1266	H	1	noname	0.0307
34	H20    -5.7402     1.8855     2.3492	H	1	noname	0.0233
35	H21    -5.1073     3.1739     3.4017	H	1	noname	0.0233
36	H22    -4.6121     3.0963     1.6938	H	1	noname	0.0233
@<TRIPOS>BOND
1	1	3	1
2	1	6	1
3	2	6	1
4	2	7	1
5	3	4	1
6	3	5	1
7	3	15	1
8	4	7	1
9	4	16	1
10	4	17	1
11	5	8	1
12	5	18	1
13	5	19	1
14	6	9	1
15	6	20	1
16	7	21	1
17	7	22	1
18	8	10	1
19	8	23	1
20	8	24	1
21	9	11	1
22	9	25	1
23	9	26	1
24	10	27	1
25	10	28	1
26	10	29	1
27	11	12	2
28	11	30	1
29	12	13	1
30	12	31	1
31	13	14	1
32	13	32	1
33	13	33	1
34	14	34	1
35	14	35	1
36	14	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1