@<TRIPOS>MOLECULE
76959346
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.6625    -2.0516    -0.9986	O.2	1	noname	-0.2772
2	O2    -3.4634     0.2056     1.8324	O.2	1	noname	-0.2631
3	O3     3.5229    -2.2260    -1.7648	O.3	1	noname	-0.2138
4	O4     2.8670    -1.1994     0.1294	O.2	1	noname	-0.2493
5	N1     1.1129     0.3340    -0.9481	N.3	1	noname	0.0079
6	N2    -1.5021     1.2186     1.2559	N.3	1	noname	-0.0875
7	N3    -2.0665    -0.9131     0.4048	N.3	1	noname	0.1022
8	N4     0.6088     2.1025     0.3231	N.2	1	noname	-0.1974
9	C1    -0.0226     0.0735    -0.2854	C.2	1	noname	-0.0005
10	C2    -0.3515     1.1738     0.5111	C.2	1	noname	0.0884
11	C3    -0.9146    -1.0277    -0.3273	C.2	1	noname	0.0750
12	C4    -2.3898     0.1740     1.1929	C.2	1	noname	0.0933
13	C5     1.7908    -0.5176    -1.8444	C.3	1	noname	0.1037
14	C6     1.4729     1.5836    -0.5780	C.2	1	noname	-0.0136
15	C7    -1.7711     2.3302     2.0805	C.3	1	noname	0.0022
16	C8    -2.9869    -1.9798     0.3500	C.3	1	noname	0.0038
17	C9     2.7541    -1.3312    -1.1084	C.2	1	noname	0.1442
18	H1     1.0714    -1.1678    -2.3424	H	1	noname	0.0581
19	H2     2.3150     0.0816    -2.5889	H	1	noname	0.0581
20	H3     2.2936     2.0735    -0.9341	H	1	noname	0.1016
21	H4    -1.8200     3.2320     1.4701	H	1	noname	0.0404
22	H5    -2.7242     2.1834     2.5887	H	1	noname	0.0404
23	H6    -0.9773     2.4346     2.8201	H	1	noname	0.0404
24	H7    -3.9392    -1.6184    -0.0380	H	1	noname	0.0405
25	H8    -3.1328    -2.3856     1.3511	H	1	noname	0.0405
26	H9    -2.6001    -2.7601    -0.3055	H	1	noname	0.0405
27	H10     3.8238    -3.0403    -1.3101	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	11	2
2	2	12	2
3	3	17	1
4	3	27	1
5	4	17	2
6	5	9	1
7	5	13	1
8	5	14	1
9	6	10	1
10	6	12	1
11	6	15	1
12	7	11	1
13	7	12	1
14	7	16	1
15	8	10	1
16	8	14	2
17	9	10	2
18	9	11	1
19	13	17	1
20	13	18	1
21	13	19	1
22	14	20	1
23	15	21	1
24	15	22	1
25	15	23	1
26	16	24	1
27	16	25	1
28	16	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1