@<TRIPOS>MOLECULE
76967371
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.8599    -1.9902     3.6045	O.2	1	noname	-0.2905
2	O2    -0.0168     1.7822     7.0507	O.2	1	noname	-0.2961
3	N1     0.3377    -0.8576     1.8459	N.3	1	noname	-0.0720
4	N2    -0.4667     0.3860     5.1188	N.3	1	noname	-0.0721
5	C1    -0.7412    -1.2925     0.9571	C.3	1	noname	0.0216
6	C2    -0.2217    -1.4829    -0.4755	C.3	1	noname	0.0012
7	C3    -0.6673    -2.7023     0.3604	C.3	1	noname	-0.0283
8	C4    -1.0922    -1.1528    -1.6329	C.2	1	noname	-0.0529
9	C5     0.5541    -0.0415     4.1531	C.3	1	noname	0.0882
10	C6    -0.0869    -1.0818     3.2308	C.2	1	noname	0.0471
11	C7     1.7237    -0.6532     4.9457	C.3	1	noname	-0.0206
12	C8    -0.8315    -1.8433    -2.8624	C.2	1	noname	-0.0559
13	C9    -2.2033    -0.2336    -1.5200	C.2	1	noname	-0.0559
14	C10     1.6676     0.1476     6.2450	C.3	1	noname	0.0232
15	C11     0.3322     0.8954     6.2417	C.2	1	noname	0.0405
16	C12    -1.7222    -1.6837    -3.9655	C.2	1	noname	-0.0602
17	C13    -3.1076    -0.0753    -2.6123	C.2	1	noname	-0.0602
18	C14    -2.8527    -0.8149    -3.8066	C.2	1	noname	-0.0615
19	H1    -1.7499    -0.8583     1.0440	H	1	noname	0.0475
20	H2     0.8682    -1.4440    -0.5974	H	1	noname	0.0369
21	H3    -1.6623    -3.0155     0.0442	H	1	noname	0.0289
22	H4     0.2014    -3.3482     0.4873	H	1	noname	0.0289
23	H5     1.1883    -0.4848     1.5662	H	1	noname	0.1313
24	H6     0.8776     0.8612     3.6018	H	1	noname	0.0566
25	H7     1.5115    -1.7015     5.1555	H	1	noname	0.0292
26	H8     2.6828    -0.5873     4.4318	H	1	noname	0.0292
27	H9    -0.0130    -2.4459    -2.9479	H	1	noname	0.0625
28	H10    -2.3401     0.3001    -0.6616	H	1	noname	0.0625
29	H11     1.6997    -0.5351     7.0941	H	1	noname	0.0361
30	H12     2.4717     0.8760     6.3503	H	1	noname	0.0361
31	H13    -1.4321     0.3426     5.0356	H	1	noname	0.1318
32	H14    -1.5593    -2.1748    -4.8446	H	1	noname	0.0622
33	H15    -3.9122     0.5477    -2.5420	H	1	noname	0.0622
34	H16    -3.5059    -0.7211    -4.5844	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	10	2
2	2	15	2
3	5	3	1
4	3	10	1
5	3	23	1
6	4	9	1
7	4	15	1
8	4	31	1
9	5	6	1
10	5	7	1
11	5	19	1
12	6	7	1
13	6	8	1
14	6	20	1
15	7	21	1
16	7	22	1
17	8	12	2
18	8	13	1
19	9	10	1
20	9	11	1
21	9	24	1
22	11	14	1
23	11	25	1
24	11	26	1
25	12	16	1
26	12	27	1
27	13	17	2
28	13	28	1
29	14	15	1
30	14	29	1
31	14	30	1
32	16	18	2
33	16	32	1
34	17	18	1
35	17	33	1
36	18	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1