@<TRIPOS>MOLECULE
76961105
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.3939     1.7599     0.1557	O.3	1	noname	-0.1293
2	O2     1.6279     3.7171    -0.0452	O.2	1	noname	-0.2619
3	O3     5.3534     2.4012    -0.9641	O.2	1	noname	-0.2504
4	N1    -0.1180     2.4254    -0.0154	N.3	1	noname	-0.1265
5	C1     1.5149     0.0453     0.0369	C.2	1	noname	0.0286
6	C2     0.0441     0.0043     0.0925	C.2	1	noname	-0.0131
7	C3    -0.7299     1.2245     0.0500	C.2	1	noname	-0.0026
8	C4     2.4563    -1.1608     0.0107	C.2	1	noname	-0.0373
9	C5     2.0682     1.3913     0.0057	C.2	1	noname	0.0897
10	C6    -0.8505    -1.1190     0.2379	C.2	1	noname	-0.0341
11	C7     1.2135     2.5299    -0.0309	C.2	1	noname	0.1286
12	C8    -2.1538     1.3125     0.0810	C.2	1	noname	-0.0304
13	C9     3.8983    -1.0940     0.0658	C.2	1	noname	-0.0392
14	C10     2.0563    -2.5396    -0.0597	C.2	1	noname	-0.0392
15	C11    -2.2650    -1.0805     0.2041	C.2	1	noname	-0.0563
16	C12    -2.9178     0.1453     0.1290	C.2	1	noname	-0.0478
17	C13     4.7868    -2.1941    -0.0694	C.2	1	noname	-0.0552
18	C14     2.9074    -3.6766    -0.0347	C.2	1	noname	-0.0552
19	C15     4.2972    -3.5052    -0.0624	C.2	1	noname	-0.0529
20	C16     4.1528     2.0637    -1.0498	C.2	1	noname	0.1601
21	C17     3.5113     1.9741    -2.3582	C.3	1	noname	0.0224
22	H1    -0.6760     3.2379    -0.0273	H	1	noname	0.1375
23	H2    -0.5624    -2.0473     0.4286	H	1	noname	0.0629
24	H3    -2.6375     2.2129     0.0641	H	1	noname	0.0639
25	H4     4.3853    -0.2409     0.2353	H	1	noname	0.0629
26	H5     1.1193    -2.8355    -0.1651	H	1	noname	0.0629
27	H6    -2.8147    -1.9444     0.2563	H	1	noname	0.0622
28	H7    -3.9413     0.1812     0.1286	H	1	noname	0.0623
29	H8     5.7972    -2.0797    -0.1339	H	1	noname	0.0622
30	H9     2.5050    -4.6300    -0.0012	H	1	noname	0.0622
31	H10     4.9286    -4.3160    -0.0612	H	1	noname	0.0622
32	H11     3.5469     2.9474    -2.8477	H	1	noname	0.0336
33	H12     2.4727     1.6679    -2.2334	H	1	noname	0.0336
34	H13     4.0355     1.2402    -2.9704	H	1	noname	0.0336
@<TRIPOS>BOND
1	1	9	1
2	1	20	1
3	2	11	2
4	3	20	2
5	4	7	1
6	4	11	1
7	4	22	1
8	5	6	1
9	5	8	1
10	5	9	2
11	6	7	1
12	6	10	2
13	7	12	2
14	8	13	2
15	8	14	1
16	9	11	1
17	10	15	1
18	10	23	1
19	12	16	1
20	12	24	1
21	13	17	1
22	13	25	1
23	14	18	2
24	14	26	1
25	15	16	2
26	15	27	1
27	16	28	1
28	17	19	2
29	17	29	1
30	18	19	1
31	18	30	1
32	19	31	1
33	20	21	1
34	21	32	1
35	21	33	1
36	21	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1