@<TRIPOS>MOLECULE
76972408
38 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.4252     3.7555    -0.2392	S.3	1	noname	-0.1036
2	O1     0.5132     0.3142     2.9690	O.3	1	noname	-0.2785
3	O2     0.1318     2.8668    -1.8652	O.3	1	noname	-0.2741
4	N1    -2.1045    -2.7751     1.1713	N.3	1	noname	-0.3301
5	C1    -0.6143     0.6260     0.9044	C.2	1	noname	-0.0175
6	C2    -1.5983    -0.3871     1.2746	C.3	1	noname	0.0259
7	C3     0.4192     0.9431     1.7781	C.2	1	noname	-0.0113
8	C4     1.2593     2.5550     0.1995	C.2	1	noname	0.0006
9	C5    -0.7111     1.2735    -0.3218	C.2	1	noname	-0.0188
10	C6     0.2257     2.2380    -0.6743	C.2	1	noname	0.0047
11	C7     3.7976     2.9722    -1.1012	C.3	1	noname	0.0039
12	C8     1.3560     1.9076     1.4256	C.2	1	noname	-0.0031
13	C9    -1.1192    -1.7607     0.8006	C.3	1	noname	-0.0035
14	C10     4.8288     4.0339    -1.4891	C.3	1	noname	-0.0532
15	C11     4.4518     1.9371    -0.1839	C.3	1	noname	-0.0532
16	C12    -0.2176     1.0401     3.9465	C.3	1	noname	0.0423
17	C13    -0.6649     4.0336    -1.7228	C.3	1	noname	0.0423
18	H1    -2.5541    -0.1539     0.8054	H	1	noname	0.0330
19	H2    -1.7185    -0.3981     2.3579	H	1	noname	0.0330
20	H3    -1.4695     1.0408    -0.9630	H	1	noname	0.0654
21	H4     3.4280     2.4790    -2.0002	H	1	noname	0.0414
22	H5     2.1144     2.1402     2.0668	H	1	noname	0.0663
23	H6    -0.9990    -1.7496    -0.2827	H	1	noname	0.0429
24	H7    -0.1634    -1.9939     1.2698	H	1	noname	0.0429
25	H8     5.6598     3.5596    -2.0111	H	1	noname	0.0241
26	H9     5.2829     1.4627    -0.7058	H	1	noname	0.0241
27	H10     3.7172     1.1807     0.0925	H	1	noname	0.0241
28	H11     4.8214     2.4303     0.7152	H	1	noname	0.0241
29	H12     4.3627     4.7713    -2.1426	H	1	noname	0.0241
30	H13     5.1983     4.5271    -0.5901	H	1	noname	0.0241
31	H14    -1.7844    -3.6926     0.8547	H	1	noname	0.1184
32	H15    -3.0006    -2.5564     0.7313	H	1	noname	0.1184
33	H16    -0.1417     0.5324     4.9080	H	1	noname	0.0535
34	H17    -1.2643     1.0988     3.6482	H	1	noname	0.0535
35	H18     0.1924     2.0463     4.0336	H	1	noname	0.0535
36	H19    -0.7407     4.5414    -2.6843	H	1	noname	0.0535
37	H20    -1.6610     3.7539    -1.3801	H	1	noname	0.0535
38	H21    -0.2043     4.7014    -0.9947	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	8	1
2	1	11	1
3	2	7	1
4	2	16	1
5	3	10	1
6	3	17	1
7	4	13	1
8	4	31	1
9	4	32	1
10	5	6	1
11	5	7	1
12	5	9	2
13	6	13	1
14	6	18	1
15	6	19	1
16	7	12	2
17	8	10	2
18	8	12	1
19	9	10	1
20	9	20	1
21	11	14	1
22	11	15	1
23	11	21	1
24	12	22	1
25	13	23	1
26	13	24	1
27	14	25	1
28	14	29	1
29	14	30	1
30	15	26	1
31	15	27	1
32	15	28	1
33	16	33	1
34	16	34	1
35	16	35	1
36	17	36	1
37	17	37	1
38	17	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1