@<TRIPOS>MOLECULE
76966052
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.8501    -0.9622    -1.2903	O.3	1	noname	-0.3867
2	N1    -0.4985    -3.4871     0.2097	N.3	1	noname	-0.3254
3	C1    -0.1269    -0.9898    -0.0621	C.3	1	noname	0.0939
4	C2     0.5030    -2.4119     0.1023	C.3	1	noname	0.0317
5	C3     0.8013     0.1996     0.0363	C.2	1	noname	-0.0418
6	C4     1.4823    -2.8602    -1.0016	C.3	1	noname	-0.0471
7	C5     0.3198     1.5058    -0.2451	C.2	1	noname	-0.0486
8	C6     2.1741     0.0716     0.3840	C.2	1	noname	-0.0486
9	C7     1.1970     2.6159    -0.2673	C.2	1	noname	-0.0583
10	C8     3.0641     1.1452     0.2344	C.2	1	noname	-0.0583
11	C9     2.5769     2.4335    -0.0613	C.2	1	noname	-0.0610
12	H1    -0.8852    -0.8854     0.7070	H	1	noname	0.0668
13	H2     1.0428    -2.4536     1.0491	H	1	noname	0.0490
14	H3     2.1581    -2.0594    -1.3123	H	1	noname	0.0247
15	H4     0.9191    -3.2156    -1.8645	H	1	noname	0.0247
16	H5     2.0549    -3.7105    -0.6311	H	1	noname	0.0247
17	H6    -1.0929    -3.3190     1.0239	H	1	noname	0.1187
18	H7    -1.0738    -3.5023    -0.6349	H	1	noname	0.1187
19	H8    -0.6719     1.6660    -0.4656	H	1	noname	0.0626
20	H9     2.5676    -0.8219     0.6912	H	1	noname	0.0626
21	H10    -1.5552    -1.6425    -1.2697	H	1	noname	0.2109
22	H11     0.8356     3.5514    -0.4696	H	1	noname	0.0622
23	H12     4.0685     0.9896     0.3473	H	1	noname	0.0622
24	H13     3.2301     3.2105    -0.1456	H	1	noname	0.0622
@<TRIPOS>BOND
1	3	1	1
2	1	21	1
3	4	2	1
4	2	17	1
5	2	18	1
6	3	4	1
7	3	5	1
8	3	12	1
9	4	6	1
10	4	13	1
11	5	7	2
12	5	8	1
13	6	14	1
14	6	15	1
15	6	16	1
16	7	9	1
17	7	19	1
18	8	10	2
19	8	20	1
20	9	11	2
21	9	22	1
22	10	11	1
23	10	23	1
24	11	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1