@<TRIPOS>MOLECULE
101294918
40 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.5538     0.6117    -1.2455	O.3	1	noname	-0.3761
2	O2     2.6918     2.3289     1.7592	O.3	1	noname	-0.2726
3	O3    -0.9154     3.1752    -1.1437	O.2	1	noname	-0.2836
4	O4     1.5279     0.3349     3.4425	O.2	1	noname	-0.2908
5	N1    -0.4098    -0.9737     0.6001	N.3	1	noname	-0.1558
6	C1    -0.2247     0.9236    -0.8360	C.3	1	noname	0.1594
7	C2     1.1515     0.6563     1.2009	C.2	1	noname	0.0591
8	C3     0.1889     0.1758     0.3613	C.2	1	noname	-0.0643
9	C4     2.5445    -1.2761     2.0392	C.3	1	noname	0.0194
10	C5    -0.0861     2.3910    -0.5986	C.2	1	noname	0.1308
11	C6     1.6672    -0.1002     2.2683	C.2	1	noname	0.1244
12	C7     1.6108     1.9562     1.0488	C.2	1	noname	0.0259
13	C8     0.9872     2.8368     0.2187	C.2	1	noname	0.0864
14	C9     1.7753    -2.6013     2.1702	C.3	1	noname	-0.0463
15	C10     0.6686     0.5552    -2.0445	C.3	1	noname	-0.0232
16	C11     3.6985    -1.2549     3.0436	C.3	1	noname	-0.0552
17	C12     1.4159     4.2251     0.1165	C.3	1	noname	-0.0335
18	C13     2.7298    -3.7715     1.9242	C.3	1	noname	-0.0647
19	C14     3.8669     2.0619     1.0081	C.3	1	noname	0.0423
20	H1     2.8971    -1.2528     1.0081	H	1	noname	0.0383
21	H2     0.9704    -2.6284     1.4356	H	1	noname	0.0271
22	H3     1.3549    -2.6799     3.1728	H	1	noname	0.0271
23	H4     1.7104     0.7681    -1.8046	H	1	noname	0.0268
24	H5     0.5569    -0.5056    -2.2689	H	1	noname	0.0268
25	H6     0.3679     1.1435    -2.9114	H	1	noname	0.0268
26	H7     4.3424    -2.1181     2.8755	H	1	noname	0.0238
27	H8     3.2988    -1.2916     4.0571	H	1	noname	0.0238
28	H9     4.2763    -0.3398     2.9139	H	1	noname	0.0238
29	H10     1.3036     4.7123     1.0851	H	1	noname	0.0282
30	H11     0.8034     4.7410    -0.6229	H	1	noname	0.0282
31	H12     2.4616     4.2609    -0.1891	H	1	noname	0.0282
32	H13    -1.0640    -1.1480    -0.0946	H	1	noname	0.1241
33	H14    -0.8552    -0.9337     1.4609	H	1	noname	0.1241
34	H15    -2.1783     0.8315    -0.5230	H	1	noname	0.2120
35	H16     2.1845    -4.7108     2.0170	H	1	noname	0.0231
36	H17     3.1501    -3.6930     0.9216	H	1	noname	0.0231
37	H18     3.5346    -3.7445     2.6588	H	1	noname	0.0231
38	H19     4.7422     2.3636     1.5833	H	1	noname	0.0535
39	H20     3.8357     2.6218     0.0734	H	1	noname	0.0535
40	H21     3.9249     0.9953     0.7909	H	1	noname	0.0535
@<TRIPOS>BOND
1	6	1	1
2	1	34	1
3	2	12	1
4	2	19	1
5	3	10	2
6	4	11	2
7	5	8	1
8	5	32	1
9	5	33	1
10	6	8	1
11	6	10	1
12	6	15	1
13	7	8	2
14	7	11	1
15	7	12	1
16	9	11	1
17	9	14	1
18	9	16	1
19	9	20	1
20	10	13	1
21	12	13	2
22	13	17	1
23	14	18	1
24	14	21	1
25	14	22	1
26	15	23	1
27	15	24	1
28	15	25	1
29	16	26	1
30	16	27	1
31	16	28	1
32	17	29	1
33	17	30	1
34	17	31	1
35	18	35	1
36	18	36	1
37	18	37	1
38	19	38	1
39	19	39	1
40	19	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1