@<TRIPOS>MOLECULE
70252131
34 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.7778    -2.2648     0.3161	O.3	1	noname	-0.3867
2	N1    -3.0154    -0.5626    -0.2124	N.3	1	noname	-0.2976
3	C1    -1.6484     0.0341    -0.0604	C.3	1	noname	0.0370
4	C2    -3.3514    -0.9784    -1.5825	C.3	1	noname	-0.0013
5	C3    -4.1701     0.3157     0.0367	C.3	1	noname	-0.0013
6	C4    -4.7832    -1.4524    -1.4690	C.3	1	noname	-0.0392
7	C5    -5.3808    -0.4512    -0.4837	C.3	1	noname	-0.0392
8	C6    -0.5929    -1.0761    -0.4768	C.3	1	noname	0.0943
9	C7    -1.4216     0.5782     1.4042	C.3	1	noname	-0.0467
10	C8     0.7980    -0.5486    -0.4683	C.2	1	noname	-0.0418
11	C9     1.5592    -0.6383     0.7536	C.2	1	noname	-0.0486
12	C10     1.3148     0.1348    -1.6286	C.2	1	noname	-0.0486
13	C11     2.8424    -0.0406     0.8381	C.2	1	noname	-0.0583
14	C12     2.6150     0.7132    -1.5701	C.2	1	noname	-0.0583
15	C13     3.3372     0.6083    -0.3375	C.2	1	noname	-0.0610
16	H1    -1.5425     0.8886    -0.7536	H	1	noname	0.0494
17	H2    -4.2773     0.4796     1.1090	H	1	noname	0.0430
18	H3    -4.0323     1.2452    -0.5157	H	1	noname	0.0430
19	H4    -3.3060    -0.1147    -2.2458	H	1	noname	0.0430
20	H5    -2.6553    -1.7105    -1.9919	H	1	noname	0.0430
21	H6    -6.0424     0.2320    -1.0162	H	1	noname	0.0280
22	H7    -5.9141    -0.9923     0.2980	H	1	noname	0.0280
23	H8    -5.2774    -1.3504    -2.4352	H	1	noname	0.0280
24	H9    -4.8096    -2.4547    -1.0415	H	1	noname	0.0280
25	H10    -0.7837    -1.4379    -1.5058	H	1	noname	0.0668
26	H11    -0.4216     1.0046     1.4826	H	1	noname	0.0247
27	H12    -2.1625     1.3465     1.6251	H	1	noname	0.0247
28	H13    -1.5242    -0.2409     2.1160	H	1	noname	0.0247
29	H14    -0.1207    -2.9411     0.0491	H	1	noname	0.2109
30	H15     1.1738    -1.1325     1.5583	H	1	noname	0.0626
31	H16     0.7566     0.2028    -2.4796	H	1	noname	0.0626
32	H17     3.3887    -0.0718     1.6989	H	1	noname	0.0622
33	H18     3.0184     1.1863    -2.3788	H	1	noname	0.0622
34	H19     4.2675     1.0244    -0.2948	H	1	noname	0.0622
@<TRIPOS>BOND
1	8	1	1
2	1	29	1
3	2	3	1
4	2	4	1
5	2	5	1
6	3	8	1
7	3	9	1
8	3	16	1
9	4	6	1
10	4	19	1
11	4	20	1
12	5	7	1
13	5	17	1
14	5	18	1
15	6	7	1
16	6	23	1
17	6	24	1
18	7	21	1
19	7	22	1
20	8	10	1
21	8	25	1
22	9	26	1
23	9	27	1
24	9	28	1
25	10	11	2
26	10	12	1
27	11	13	1
28	11	30	1
29	12	14	2
30	12	31	1
31	13	15	2
32	13	32	1
33	14	15	1
34	14	33	1
35	15	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1