@<TRIPOS>MOLECULE
65313829
25 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.5395     0.4801    -1.4084	O.3	1	noname	-0.3945
2	O2    -0.5751     3.6300     0.7123	O.3	1	noname	-0.3945
3	O3     0.4083     0.7574    -0.6377	O.2	1	noname	-0.2940
4	O4    -1.9509    -2.7332    -0.0511	O.2	1	noname	-0.2976
5	N1    -1.5226     0.9946     0.4796	N.3	1	noname	-0.0727
6	C1    -2.0079     2.0173    -0.3610	C.3	1	noname	0.0603
7	C2    -3.4637     1.7257    -0.7307	C.3	1	noname	0.0612
8	C3    -1.9262     3.3593     0.3692	C.3	1	noname	0.0612
9	C4    -0.4691     0.2587     0.0999	C.2	1	noname	0.0429
10	C5    -0.3460    -1.1255     0.5476	C.3	1	noname	0.0797
11	C6    -0.9997    -2.0081    -0.4143	C.2	1	noname	0.1366
12	C7    -0.5423    -2.0438    -1.8003	C.3	1	noname	-0.0052
13	H1    -1.4043     2.0595    -1.2676	H	1	noname	0.0517
14	H2    -4.0673     1.6834     0.1759	H	1	noname	0.0580
15	H3    -3.8389     2.5163    -1.3805	H	1	noname	0.0580
16	H4    -2.5298     3.3171     1.2758	H	1	noname	0.0580
17	H5    -2.3014     4.1499    -0.2806	H	1	noname	0.0580
18	H6    -1.9513     0.8237     1.3328	H	1	noname	0.1315
19	H7    -0.8207    -1.2355     1.5227	H	1	noname	0.0442
20	H8     0.7086    -1.3899     0.6251	H	1	noname	0.0442
21	H9    -0.5227     4.4896     1.1800	H	1	noname	0.2100
22	H10    -4.4720     0.2934    -1.6452	H	1	noname	0.2100
23	H11    -1.3603    -1.7552    -2.4604	H	1	noname	0.0310
24	H12    -0.2139    -3.0530    -2.0487	H	1	noname	0.0310
25	H13     0.2886    -1.3498    -1.9267	H	1	noname	0.0310
@<TRIPOS>BOND
1	1	7	1
2	1	22	1
3	2	8	1
4	2	21	1
5	3	9	2
6	4	11	2
7	5	6	1
8	5	9	1
9	5	18	1
10	6	7	1
11	6	8	1
12	6	13	1
13	7	14	1
14	7	15	1
15	8	16	1
16	8	17	1
17	9	10	1
18	10	11	1
19	10	19	1
20	10	20	1
21	11	12	1
22	12	23	1
23	12	24	1
24	12	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1