@<TRIPOS>MOLECULE
76966938
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.8885    -1.1031     3.6361	O.3	1	noname	-0.2742
2	O2     2.9289    -1.9394     3.2976	O.3	1	noname	-0.2238
3	O3     1.4480    -2.7132     2.2260	O.2	1	noname	-0.2543
4	O4     2.0365     2.9944     0.2053	O.3	1	noname	-0.2256
5	O5     3.2827     2.8297     1.7415	O.2	1	noname	-0.2567
6	N1     1.6838    -1.9500     3.0741	N.2	1	noname	-0.1961
7	N2     2.6683     2.2095     0.9701	N.2	1	noname	-0.2093
8	C1    -1.7629     1.4377     3.0061	C.3	1	noname	0.0293
9	C2    -1.5827     2.0745     4.4294	C.3	1	noname	-0.0463
10	C3    -2.5948     2.2422     1.9294	C.3	1	noname	-0.0463
11	C4    -3.3791     3.4449     2.5433	C.3	1	noname	-0.0527
12	C5    -1.4382     3.6155     4.3274	C.3	1	noname	-0.0527
13	C6    -2.5980     4.3346     3.5699	C.3	1	noname	-0.0532
14	C7    -0.4147     1.0260     2.5928	C.2	1	noname	0.0003
15	C8    -0.0157    -0.2993     2.9921	C.2	1	noname	0.0340
16	C9     0.5100     1.9019     1.9111	C.2	1	noname	-0.0098
17	C10     1.2976    -0.7588     2.7071	C.2	1	noname	0.0535
18	C11     1.8220     1.4437     1.6028	C.2	1	noname	0.0161
19	C12     2.1877     0.1184     2.0066	C.2	1	noname	0.0358
20	H1    -2.2936     0.5223     3.2676	H	1	noname	0.0353
21	H2    -3.2931     1.5689     1.4324	H	1	noname	0.0273
22	H3    -1.8730     2.6653     1.2308	H	1	noname	0.0273
23	H4    -2.4461     1.8307     5.0484	H	1	noname	0.0273
24	H5    -0.7217     1.6376     4.9352	H	1	noname	0.0273
25	H6    -4.2987     3.0825     3.0026	H	1	noname	0.0267
26	H7    -3.7361     4.0794     1.7321	H	1	noname	0.0267
27	H8    -1.3403     4.0382     5.3273	H	1	noname	0.0267
28	H9    -0.5380     3.7922     3.7386	H	1	noname	0.0267
29	H10    -3.2976     4.7556     4.2919	H	1	noname	0.0266
30	H11    -2.1351     5.1657     3.0378	H	1	noname	0.0266
31	H12     0.2236     2.8459     1.6514	H	1	noname	0.0660
32	H13     3.1255    -0.2161     1.7849	H	1	noname	0.0691
33	H14    -0.4582    -1.9613     3.8328	H	1	noname	0.2183
34	H15     3.2189    -2.8340     3.5732	H	1	noname	0.2597
35	H16     2.6720     3.5695    -0.2699	H	1	noname	0.2597
36	H17     1.2296    -2.1989     3.8525	H	1	noname	0.2776
37	H18     3.2486     1.6801     0.4628	H	1	noname	0.2774
@<TRIPOS>BOND
1	1	15	1
2	1	33	1
3	2	6	1
4	2	34	1
5	3	6	2
6	4	7	1
7	4	35	1
8	5	7	2
9	6	17	1
10	6	36	1
11	7	18	1
12	7	37	1
13	8	9	1
14	8	10	1
15	8	14	1
16	8	20	1
17	9	12	1
18	9	23	1
19	9	24	1
20	10	11	1
21	10	21	1
22	10	22	1
23	11	13	1
24	11	25	1
25	11	26	1
26	12	13	1
27	12	27	1
28	12	28	1
29	13	29	1
30	13	30	1
31	14	15	2
32	14	16	1
33	15	17	1
34	16	18	2
35	16	31	1
36	17	19	2
37	18	19	1
38	19	32	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1