@<TRIPOS>MOLECULE
82100224
34 34 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.7020    -1.0326     0.6059	O.2	1	noname	-0.2923
2	N1     1.2172    -3.0027    -0.2569	N.3	1	noname	-0.3076
3	C1     0.0469    -2.4483     0.4372	C.3	1	noname	0.0680
4	C2    -0.7580    -1.3476    -0.1493	C.2	1	noname	0.0983
5	C3    -0.5842    -0.6517    -1.4032	C.2	1	noname	-0.0269
6	C4    -0.8811    -3.5880     0.8625	C.3	1	noname	-0.0423
7	C5     1.8062    -4.0667     0.5545	C.3	1	noname	-0.0070
8	C6    -0.2787     0.7643    -3.8922	C.2	1	noname	-0.0358
9	C7     0.4608    -0.9430    -2.3241	C.2	1	noname	-0.0189
10	C8    -1.4876     0.3943    -1.7814	C.2	1	noname	-0.0189
11	C9    -0.0801     1.4685    -5.1905	C.3	1	noname	0.0065
12	C10     0.6293    -0.2673    -3.5413	C.2	1	noname	-0.0518
13	C11    -1.3369     1.0914    -3.0071	C.2	1	noname	-0.0518
14	C12     3.0249    -4.6440    -0.1683	C.3	1	noname	-0.0527
15	C13    -0.8585     0.7419    -6.2892	C.3	1	noname	-0.0613
16	H1     0.3830    -2.0699     1.4026	H	1	noname	0.0547
17	H2     1.9080    -2.2639    -0.4034	H	1	noname	0.1229
18	H3    -1.7493    -3.1767     1.3774	H	1	noname	0.0251
19	H4    -1.2087    -4.1382    -0.0196	H	1	noname	0.0251
20	H5    -0.3463    -4.2611     1.5326	H	1	noname	0.0251
21	H6     1.0695    -4.8546     0.7107	H	1	noname	0.0425
22	H7     2.1139    -3.6607     1.5181	H	1	noname	0.0425
23	H8     1.1562    -1.6612    -2.1616	H	1	noname	0.0630
24	H9    -2.2825     0.6727    -1.1648	H	1	noname	0.0630
25	H10    -0.4410     2.4936    -5.1068	H	1	noname	0.0313
26	H11     0.9807     1.4761    -5.4412	H	1	noname	0.0313
27	H12     1.4104    -0.5422    -4.1454	H	1	noname	0.0625
28	H13    -2.0234     1.8398    -3.2257	H	1	noname	0.0625
29	H14     3.4641    -5.4372     0.4366	H	1	noname	0.0243
30	H15     2.7172    -5.0500    -1.1320	H	1	noname	0.0243
31	H16     3.7617    -3.8560    -0.3246	H	1	noname	0.0243
32	H17    -0.7132     1.2570    -7.2387	H	1	noname	0.0234
33	H18    -1.9193     0.7343    -6.0385	H	1	noname	0.0234
34	H19    -0.4976    -0.2832    -6.3729	H	1	noname	0.0234
@<TRIPOS>BOND
1	1	4	2
2	2	3	1
3	2	7	1
4	2	17	1
5	3	4	1
6	3	6	1
7	3	16	1
8	4	5	1
9	5	9	2
10	5	10	1
11	6	18	1
12	6	19	1
13	6	20	1
14	7	14	1
15	7	21	1
16	7	22	1
17	8	11	1
18	8	12	2
19	8	13	1
20	9	12	1
21	9	23	1
22	10	13	2
23	10	24	1
24	11	15	1
25	11	25	1
26	11	26	1
27	12	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