@<TRIPOS>MOLECULE
76964391
34 34 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.4841    -1.8370     0.3474	O.3	1	noname	-0.3870
2	O2     4.1517    -1.5278     2.9355	O.3	1	noname	-0.2861
3	N1    -1.3626    -1.2713    -2.4303	N.3	1	noname	-0.3137
4	C1    -0.1557    -1.4093    -1.6168	C.3	1	noname	0.0256
5	C2    -0.4629    -1.0000    -0.1749	C.3	1	noname	0.0915
6	C3    -1.0690    -1.6624    -3.8081	C.3	1	noname	-0.0047
7	C4    -2.3321    -1.5180    -4.6594	C.3	1	noname	-0.0409
8	C5    -2.0248    -1.9273    -6.1012	C.3	1	noname	-0.0549
9	C6     0.7423    -1.1378     0.6374	C.2	1	noname	-0.0541
10	C7     1.3569    -2.3781     0.7642	C.2	1	noname	-0.0396
11	C8     1.2752    -0.0288     1.2841	C.2	1	noname	-0.0396
12	C9    -3.2879    -1.7829    -6.9526	C.3	1	noname	-0.0653
13	C10     2.5043    -2.5094     1.5376	C.2	1	noname	-0.0289
14	C11     2.4226    -0.1600     2.0575	C.2	1	noname	-0.0289
15	C12     3.0372    -1.4003     2.1843	C.2	1	noname	-0.0012
16	H1     0.1791    -2.4464    -1.6365	H	1	noname	0.0458
17	H2     0.6282    -0.7668    -2.0177	H	1	noname	0.0458
18	H3    -0.7978     0.0372    -0.1552	H	1	noname	0.0665
19	H4    -0.7342    -2.6995    -3.8278	H	1	noname	0.0427
20	H5    -0.2852    -1.0199    -4.2090	H	1	noname	0.0427
21	H6    -3.1159    -2.1605    -4.2584	H	1	noname	0.0279
22	H7    -2.6669    -0.4808    -4.6396	H	1	noname	0.0279
23	H8    -1.6765    -0.2989    -2.4118	H	1	noname	0.1223
24	H9    -1.6900    -2.9644    -6.1210	H	1	noname	0.0264
25	H10    -1.2410    -1.2848    -6.5022	H	1	noname	0.0264
26	H11     0.9659    -3.1919     0.2897	H	1	noname	0.0627
27	H12     0.8242     0.8814     1.1911	H	1	noname	0.0627
28	H13    -3.0690    -2.0745    -7.9798	H	1	noname	0.0230
29	H14    -4.0717    -2.4254    -6.5516	H	1	noname	0.0230
30	H15    -3.6227    -0.7457    -6.9328	H	1	noname	0.0230
31	H16    -1.6809    -1.5748     1.2709	H	1	noname	0.2109
32	H17     2.9553    -3.4195     1.6307	H	1	noname	0.0650
33	H18     2.8137     0.6538     2.5321	H	1	noname	0.0650
34	H19     4.4527    -2.4602     2.9177	H	1	noname	0.2181
@<TRIPOS>BOND
1	5	1	1
2	1	31	1
3	2	15	1
4	2	34	1
5	3	4	1
6	3	6	1
7	3	23	1
8	4	5	1
9	4	16	1
10	4	17	1
11	5	9	1
12	5	18	1
13	6	7	1
14	6	19	1
15	6	20	1
16	7	8	1
17	7	21	1
18	7	22	1
19	8	12	1
20	8	24	1
21	8	25	1
22	9	10	2
23	9	11	1
24	10	13	1
25	10	26	1
26	11	14	2
27	11	27	1
28	12	28	1
29	12	29	1
30	12	30	1
31	13	15	2
32	13	32	1
33	14	15	1
34	14	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1