@<TRIPOS>MOLECULE
82100531
34 34 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.6291    -0.9616     0.7188	O.2	1	noname	-0.2922
2	N1     0.8870    -3.3411    -0.1588	N.3	1	noname	-0.3076
3	C1    -0.1886    -2.5433     0.4343	C.3	1	noname	0.0680
4	C2    -0.4961    -0.4301    -1.2683	C.2	1	noname	-0.0356
5	C3    -0.7440    -1.2767    -0.1082	C.2	1	noname	0.0974
6	C4     0.4623    -0.5929    -2.3409	C.2	1	noname	-0.0174
7	C5    -1.3357    -3.4650     0.8532	C.3	1	noname	-0.0423
8	C6     1.1419    -4.5133     0.6769	C.3	1	noname	-0.0070
9	C7    -1.3214     0.7302    -1.3575	C.2	1	noname	-0.0216
10	C8     0.5614     0.3553    -3.4101	C.2	1	noname	-0.0602
11	C9    -0.2912     1.4751    -3.4240	C.2	1	noname	-0.0391
12	C10    -1.2215     1.6486    -2.3982	C.2	1	noname	-0.0637
13	C11     1.4236    -1.6989    -2.4808	C.3	1	noname	0.0066
14	C12     2.2655    -5.3467     0.0574	C.3	1	noname	-0.0527
15	C13    -0.2274     2.4696    -4.4939	C.3	1	noname	0.0006
16	H1     0.1803    -2.2464     1.4160	H	1	noname	0.0547
17	H2     1.7361    -2.7757    -0.2207	H	1	noname	0.1229
18	H3    -2.1362    -2.8713     1.2946	H	1	noname	0.0251
19	H4    -1.7151    -3.9935    -0.0213	H	1	noname	0.0251
20	H5    -0.9730    -4.1869     1.5849	H	1	noname	0.0251
21	H6     0.2363    -5.1163     0.7430	H	1	noname	0.0425
22	H7     1.4371    -4.1905     1.6753	H	1	noname	0.0425
23	H8    -2.0394     0.9447    -0.6458	H	1	noname	0.0630
24	H9     1.2528     0.2247    -4.1710	H	1	noname	0.0628
25	H10    -1.8488     2.4501    -2.3863	H	1	noname	0.0625
26	H11     1.2374    -2.2260    -3.4164	H	1	noname	0.0280
27	H12     1.3073    -2.3892    -1.6453	H	1	noname	0.0280
28	H13     2.4381    -1.3002    -2.4841	H	1	noname	0.0280
29	H14     2.4556    -6.2206     0.6805	H	1	noname	0.0243
30	H15     1.9704    -5.6695    -0.9410	H	1	noname	0.0243
31	H16     3.1711    -4.7437    -0.0086	H	1	noname	0.0243
32	H17    -0.4332     1.9885    -5.4500	H	1	noname	0.0279
33	H18    -0.9688     3.2476    -4.3115	H	1	noname	0.0279
34	H19     0.7675     2.9143    -4.5177	H	1	noname	0.0279
@<TRIPOS>BOND
1	1	5	2
2	2	3	1
3	2	8	1
4	2	17	1
5	3	5	1
6	3	7	1
7	3	16	1
8	4	5	1
9	4	6	2
10	4	9	1
11	6	10	1
12	6	13	1
13	7	18	1
14	7	19	1
15	7	20	1
16	8	14	1
17	8	21	1
18	8	22	1
19	9	12	2
20	9	23	1
21	10	11	2
22	10	24	1
23	11	12	1
24	11	15	1
25	12	25	1
26	13	26	1
27	13	27	1
28	13	28	1
29	14	29	1
30	14	30	1
31	14	31	1
32	15	32	1
33	15	33	1
34	15	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1