@<TRIPOS>MOLECULE
71587912
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.1836     1.7819    -1.9114	O.3	1	noname	-0.8184
2	O2     0.6918     4.7782    -2.4840	O.3	1	noname	-0.2256
3	O3     2.0836    -0.9590     0.6779	O.3	1	noname	-0.2256
4	O4     2.5940     4.9138    -1.8068	O.2	1	noname	-0.2567
5	O5     3.6608     0.2618     0.8188	O.2	1	noname	-0.2567
6	O6    -0.7442     4.3501     2.1897	O.3	1	noname	-0.2256
7	O7    -1.6328     2.6678     1.5821	O.2	1	noname	-0.2567
8	N1     1.7514     4.1536    -2.1142	N.2	1	noname	-0.2076
9	N2     2.6806     0.0741     0.2050	N.2	1	noname	-0.2076
10	N3    -0.6003     3.1178     1.9217	N.2	1	noname	-0.2113
11	C1     1.5337     3.3233    -1.0935	C.2	1	noname	0.0201
12	C2     1.9962     1.2298     0.1352	C.2	1	noname	0.0201
13	C3     0.3151     2.8310     0.9936	C.2	1	noname	0.0027
14	C4     2.2457     2.0919    -0.9687	C.2	1	noname	0.0480
15	C5     0.5784     3.6541    -0.1046	C.2	1	noname	0.0258
16	C6     1.0590     1.6321     1.1254	C.2	1	noname	0.0258
17	H1     0.0537     4.5319    -0.1821	H	1	noname	0.0689
18	H2     0.8996     1.0450     1.9524	H	1	noname	0.0689
19	H3     0.9446     5.4308    -3.1638	H	1	noname	0.2597
20	H4     1.4523    -0.6495     1.3440	H	1	noname	0.2597
21	H5     0.1158     4.7254     2.4726	H	1	noname	0.2597
22	H6     2.0598     3.6558    -2.8353	H	1	noname	0.2774
23	H7     2.9517    -0.1370    -0.6813	H	1	noname	0.2774
24	H8    -0.3325     2.6774     2.6945	H	1	noname	0.2774
@<TRIPOS>BOND
1	1	14	1
2	2	8	1
3	2	19	1
4	3	9	1
5	3	20	1
6	4	8	2
7	5	9	2
8	6	10	1
9	6	21	1
10	7	10	2
11	8	11	1
12	8	22	1
13	9	12	1
14	9	23	1
15	10	13	1
16	10	24	1
17	11	14	2
18	11	15	1
19	12	14	1
20	12	16	2
21	13	15	2
22	13	16	1
23	15	17	1
24	16	18	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1