@<TRIPOS>MOLECULE
72941633
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.7473    -2.6718     2.6445	O.3	1	noname	-0.3730
2	O2    -3.4041     0.6576     2.0015	O.3	1	noname	-0.2713
3	N1    -4.5049    -2.0362     5.1891	N.3	1	noname	-0.3117
4	C1    -3.8890    -1.5289     2.9226	C.3	1	noname	0.0939
5	C2    -4.0349    -0.9126     4.3389	C.3	1	noname	0.0240
6	C3    -4.1720    -0.5324     1.8167	C.3	1	noname	0.0809
7	C4    -5.8408    -2.5960     4.8310	C.3	1	noname	0.0189
8	C5    -6.0472    -2.7262     3.2988	C.3	1	noname	0.0597
9	C6    -4.7830     2.4709     1.2002	C.2	1	noname	-0.0146
10	C7    -3.7269     1.5290     1.0238	C.2	1	noname	0.0077
11	C8    -5.6769     2.6955     2.3392	C.3	1	noname	-0.0062
12	C9    -5.0870     3.3721     0.1759	C.2	1	noname	-0.0299
13	C10    -6.4528     3.7964     1.8182	C.2	1	noname	-0.0695
14	C11    -6.1014     4.1688     0.5824	C.2	1	noname	-0.0520
15	C12    -2.9816     1.5268    -0.1896	C.2	1	noname	-0.0315
16	C13    -4.3694     3.3686    -1.0520	C.2	1	noname	-0.0624
17	C14    -3.3135     2.4375    -1.2283	C.2	1	noname	-0.0491
18	H1    -2.8504    -1.8487     2.8552	H	1	noname	0.0641
19	H2    -4.7937    -0.1304     4.3183	H	1	noname	0.0455
20	H3    -3.0741    -0.5105     4.6605	H	1	noname	0.0455
21	H4    -5.2332    -0.2834     1.8148	H	1	noname	0.0599
22	H5    -3.9764    -0.9723     0.8388	H	1	noname	0.0599
23	H6    -6.6238    -1.9644     5.2507	H	1	noname	0.0451
24	H7    -5.9035    -3.5783     5.2993	H	1	noname	0.0451
25	H8    -6.5263    -3.6797     3.0765	H	1	noname	0.0579
26	H9    -6.6289    -1.8675     2.9635	H	1	noname	0.0579
27	H10    -4.5095    -1.7436     6.1684	H	1	noname	0.1224
28	H11    -6.3219     1.8269     2.4716	H	1	noname	0.0360
29	H12    -5.1970     2.8577     3.3043	H	1	noname	0.0360
30	H13    -7.1785     4.2353     2.3290	H	1	noname	0.0579
31	H14    -6.5123     4.9003     0.0568	H	1	noname	0.0625
32	H15    -2.2096     0.8716    -0.3130	H	1	noname	0.0650
33	H16    -4.6101     4.0253    -1.7944	H	1	noname	0.0629
34	H17    -2.7908     2.4219    -2.1041	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	4	1
2	1	8	1
3	2	6	1
4	2	10	1
5	3	5	1
6	3	7	1
7	3	27	1
8	4	5	1
9	4	6	1
10	4	18	1
11	5	19	1
12	5	20	1
13	6	21	1
14	6	22	1
15	7	8	1
16	7	23	1
17	7	24	1
18	8	25	1
19	8	26	1
20	9	10	1
21	9	11	1
22	9	12	2
23	10	15	2
24	11	13	1
25	11	28	1
26	11	29	1
27	12	14	1
28	12	16	1
29	13	14	2
30	13	30	1
31	14	31	1
32	15	17	1
33	15	32	1
34	16	17	2
35	16	33	1
36	17	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1