@<TRIPOS>MOLECULE
101922024
38 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.4264     2.9999    -1.5266	O.3	1	noname	-0.3771
2	O2     1.6748    -1.0847    -2.4978	O.2	1	noname	-0.2929
3	O3    -3.4458    -0.3560     4.1695	O.3	1	noname	-0.2451
4	O4    -1.5844    -1.1208     5.4636	O.3	1	noname	-0.2448
5	N1     0.6452    -0.3837    -0.4266	N.3	1	noname	0.0174
6	C1    -0.6366     0.1428     0.0059	C.3	1	noname	0.0865
7	C2    -0.8326     1.6874    -0.2381	C.3	1	noname	0.0048
8	C3    -1.4274    -0.4896    -1.0462	C.2	1	noname	-0.0112
9	C4    -0.9280    -0.2457     1.4634	C.2	1	noname	-0.0323
10	C5    -2.3436     2.0583    -0.4695	C.3	1	noname	0.0781
11	C6     0.1674    -0.7465     2.2613	C.2	1	noname	-0.0318
12	C7    -0.7063    -1.0445    -2.0198	C.2	1	noname	0.0396
13	C8     0.6902    -0.8695    -1.7584	C.2	1	noname	0.0429
14	C9    -2.7619    -0.2973    -1.1574	C.2	1	noname	-0.0427
15	C10    -3.2084     0.9399    -0.8758	C.2	1	noname	-0.0538
16	C11     1.6393    -0.7371     0.3886	C.2	1	noname	-0.0804
17	C12    -2.2137    -0.0984     2.0739	C.2	1	noname	-0.0035
18	C13     1.4202    -0.9146     1.6963	C.2	1	noname	-0.0402
19	C14     0.0389    -1.0825     3.6347	C.2	1	noname	-0.0044
20	C15    -2.3263    -0.4367     3.4366	C.2	1	noname	0.0334
21	C16    -1.2456    -0.8973     4.1855	C.2	1	noname	0.0345
22	C17    -1.6925     4.1653    -1.1809	C.3	1	noname	0.0364
23	C18    -2.9971    -0.8464     5.4454	C.3	1	noname	0.1587
24	H1    -0.4494     2.2420     0.6184	H	1	noname	0.0323
25	H2    -0.3009     1.9336    -1.1572	H	1	noname	0.0323
26	H3    -2.7322     2.5134     0.4439	H	1	noname	0.0649
27	H4    -1.0816    -1.5100    -2.8088	H	1	noname	0.0678
28	H5    -3.3747    -1.0253    -1.4304	H	1	noname	0.0623
29	H6     2.5494    -0.8695     0.0222	H	1	noname	0.0757
30	H7    -4.1814     1.1086    -0.9464	H	1	noname	0.0603
31	H8    -3.0171     0.2382     1.5432	H	1	noname	0.0655
32	H9     2.1778    -1.1742     2.2784	H	1	noname	0.0639
33	H10     0.8223    -1.4340     4.1853	H	1	noname	0.0657
34	H11    -3.5465    -1.7527     5.7000	H	1	noname	0.0892
35	H12    -3.2528    -0.1369     6.2324	H	1	noname	0.0892
36	H13    -1.7561     4.8891    -1.9934	H	1	noname	0.0529
37	H14    -2.1091     4.6010    -0.2727	H	1	noname	0.0529
38	H15    -0.6489     3.9005    -1.0112	H	1	noname	0.0529
@<TRIPOS>BOND
1	10	1	1
2	1	22	1
3	2	13	2
4	3	20	1
5	3	23	1
6	4	21	1
7	4	23	1
8	5	6	1
9	5	13	1
10	5	16	1
11	6	7	1
12	6	8	1
13	6	9	1
14	7	10	1
15	7	24	1
16	7	25	1
17	8	12	2
18	8	14	1
19	9	11	1
20	9	17	2
21	10	15	1
22	10	26	1
23	11	18	1
24	11	19	2
25	12	13	1
26	12	27	1
27	14	15	2
28	14	28	1
29	15	30	1
30	16	18	2
31	16	29	1
32	17	20	1
33	17	31	1
34	18	32	1
35	19	21	1
36	19	33	1
37	20	21	2
38	22	36	1
39	22	37	1
40	22	38	1
41	23	34	1
42	23	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1