@<TRIPOS>MOLECULE
76972034
34 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.0940    -1.0497     0.4627	O.3	1	noname	-0.2759
2	O2    -0.5815     3.5644    -0.7953	O.3	1	noname	-0.2760
3	N1     5.6364     1.5498     1.0299	N.3	1	noname	-0.3301
4	C1     2.1448     1.2226    -0.2195	C.2	1	noname	-0.0119
5	C2     0.0463     0.1217     0.2059	C.2	1	noname	-0.0138
6	C3     1.4349     0.0870     0.1528	C.2	1	noname	-0.0058
7	C4     3.6032     1.1860    -0.2753	C.3	1	noname	0.0271
8	C5    -0.6323     1.2921    -0.1132	C.2	1	noname	-0.0196
9	C6     0.0776     2.4277    -0.4854	C.2	1	noname	-0.0021
10	C7     1.4661     2.3929    -0.5386	C.2	1	noname	-0.0198
11	C8     4.1759     1.5863     1.0858	C.3	1	noname	-0.0035
12	C9    -0.6636    -1.0138     0.5782	C.2	1	noname	-0.0345
13	C10    -2.0209     1.3269    -0.0600	C.2	1	noname	-0.0361
14	C11    -2.0522    -0.9791     0.6313	C.2	1	noname	-0.0538
15	C12    -2.7308     0.1913     0.3122	C.2	1	noname	-0.0540
16	C13     2.2664    -1.8316    -0.7101	C.3	1	noname	0.0423
17	C14    -0.7539     4.3463     0.3774	C.3	1	noname	0.0423
18	H1     3.9321     0.1774    -0.5255	H	1	noname	0.0330
19	H2     3.9553     1.8822    -1.0366	H	1	noname	0.0330
20	H3     1.9871     3.2262    -0.8117	H	1	noname	0.0654
21	H4     3.8239     0.8901     1.8471	H	1	noname	0.0429
22	H5     3.8470     2.5950     1.3359	H	1	noname	0.0429
23	H6    -0.1656    -1.8727     0.8123	H	1	noname	0.0630
24	H7    -2.5189     2.1857    -0.2942	H	1	noname	0.0630
25	H8    -2.5731    -1.8124     0.9045	H	1	noname	0.0622
26	H9    -3.7497     0.2168     0.3513	H	1	noname	0.0622
27	H10     6.0189     1.8172     1.9391	H	1	noname	0.1184
28	H11     5.9448     0.6040     0.7954	H	1	noname	0.1184
29	H12     2.7986    -2.7494    -0.4598	H	1	noname	0.0535
30	H13     1.2908    -2.0798    -1.1280	H	1	noname	0.0535
31	H14     2.8422    -1.2659    -1.4425	H	1	noname	0.0535
32	H15    -1.2861     5.2640     0.1272	H	1	noname	0.0535
33	H16    -1.3298     3.7806     1.1099	H	1	noname	0.0535
34	H17     0.2217     4.5944     0.7953	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	6	1
2	1	16	1
3	2	9	1
4	2	17	1
5	3	11	1
6	3	27	1
7	3	28	1
8	4	6	2
9	4	7	1
10	4	10	1
11	5	6	1
12	5	8	1
13	5	12	2
14	7	11	1
15	7	18	1
16	7	19	1
17	8	9	1
18	8	13	2
19	9	10	2
20	10	20	1
21	11	21	1
22	11	22	1
23	12	14	1
24	12	23	1
25	13	15	1
26	13	24	1
27	14	15	2
28	14	25	1
29	15	26	1
30	16	29	1
31	16	30	1
32	16	31	1
33	17	32	1
34	17	33	1
35	17	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1