@<TRIPOS>MOLECULE
86180703
25 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.3484     0.1315    -0.3801	S.3	1	noname	-0.1239
2	O1    -2.7850     4.1176     0.0238	O.2	1	noname	-0.2741
3	N1     2.1114     1.6488    -0.0344	N.2	1	noname	-0.1495
4	N2     0.9937     2.3581     0.0011	N.2	1	noname	-0.1300
5	N3    -1.4640     2.3142    -0.1652	N.3	1	noname	-0.0856
6	N4    -0.5706     4.4225     0.2141	N.3	1	noname	-0.0671
7	C1     3.1826    -0.6687    -0.3180	C.3	1	noname	0.0856
8	C2     3.1585    -1.3471    -1.6892	C.3	1	noname	-0.0537
9	C3     2.9985    -1.7227     0.7757	C.3	1	noname	-0.0537
10	C4     4.5246     0.0397    -0.1229	C.3	1	noname	-0.0537
11	C5     2.1006     0.3083    -0.2394	C.2	1	noname	0.1138
12	C6    -0.2302     1.7913    -0.1648	C.2	1	noname	0.1329
13	C7    -1.6341     3.6298     0.0242	C.2	1	noname	0.0451
14	H1     4.5417     0.5229     0.8539	H	1	noname	0.0240
15	H2     4.6557     0.7905    -0.9021	H	1	noname	0.0240
16	H3     3.0156    -1.2394     1.7525	H	1	noname	0.0240
17	H4     2.0424    -2.2274     0.6367	H	1	noname	0.0240
18	H5     3.8063    -2.4521     0.7170	H	1	noname	0.0240
19	H6     3.2897    -0.5962    -2.4684	H	1	noname	0.0240
20	H7     2.2024    -1.8518    -1.8282	H	1	noname	0.0240
21	H8     3.9663    -2.0765    -1.7479	H	1	noname	0.0240
22	H9     5.3324    -0.6898    -0.1817	H	1	noname	0.0240
23	H10    -2.2339     1.7404    -0.3026	H	1	noname	0.1409
24	H11     0.3225     4.0439     0.2144	H	1	noname	0.1285
25	H12    -0.6937     5.3748     0.3512	H	1	noname	0.1285
@<TRIPOS>BOND
1	1	11	1
2	1	12	1
3	2	13	2
4	3	4	1
5	3	11	2
6	4	12	2
7	5	12	1
8	5	13	1
9	5	23	1
10	6	13	1
11	6	24	1
12	6	25	1
13	7	8	1
14	7	9	1
15	7	10	1
16	7	11	1
17	8	19	1
18	8	20	1
19	8	21	1
20	9	16	1
21	9	17	1
22	9	18	1
23	10	14	1
24	10	15	1
25	10	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1