@<TRIPOS>MOLECULE
71587136
28 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.4028    -2.1886    -2.3122	O.3	1	noname	-0.2138
2	O2     1.2051    -3.2101    -0.4723	O.2	1	noname	-0.2494
3	O3    -2.3755     1.2947     1.2203	O.3	1	noname	-0.2138
4	O4    -1.5238     2.9943     0.0126	O.2	1	noname	-0.2494
5	O5     3.6241    -2.0196     1.9850	O.3	1	noname	-0.2184
6	O6     3.3858    -2.0014    -0.2545	O.2	1	noname	-0.2553
7	O7     1.9107     4.2036    -0.2071	O.3	1	noname	-0.2184
8	O8     0.4949     3.5072     1.4001	O.2	1	noname	-0.2553
9	N1    -0.1958    -0.1229    -0.2438	N.3	1	noname	-0.2929
10	C1     1.0931    -0.8040    -0.3538	C.3	1	noname	0.1037
11	C2    -0.0121     1.1620     0.4292	C.3	1	noname	0.1037
12	C3     1.6409    -1.0276     0.9809	C.3	1	noname	0.0584
13	C4     0.9107     1.9885    -0.3434	C.3	1	noname	0.0584
14	C5     0.9009    -2.1486    -1.0581	C.2	1	noname	0.1441
15	C6    -1.3610     1.8748     0.5444	C.2	1	noname	0.1441
16	C7     2.9281    -1.7078     0.8710	C.2	1	noname	0.1358
17	C8     1.0941     3.2716     0.3286	C.2	1	noname	0.1358
18	H1     1.7821    -0.1869    -0.9306	H	1	noname	0.0579
19	H2     0.3968     0.9950     1.4257	H	1	noname	0.0579
20	H3    -0.5793     0.0337    -1.1781	H	1	noname	0.1238
21	H4     0.9520    -1.6447     1.5577	H	1	noname	0.0394
22	H5     1.7779    -0.0697     1.4826	H	1	noname	0.0394
23	H6     0.5017     2.1555    -1.3399	H	1	noname	0.0394
24	H7     1.8716     1.4807    -0.4255	H	1	noname	0.0394
25	H8     0.6653    -2.9104    -2.9209	H	1	noname	0.2213
26	H9    -3.0429     1.8505     1.6742	H	1	noname	0.2213
27	H10     4.2093    -2.8057     1.9931	H	1	noname	0.2213
28	H11     1.7304     5.1556    -0.0605	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	14	1
2	1	25	1
3	2	14	2
4	3	15	1
5	3	26	1
6	4	15	2
7	5	16	1
8	5	27	1
9	6	16	2
10	7	17	1
11	7	28	1
12	8	17	2
13	10	9	1
14	11	9	1
15	9	20	1
16	10	12	1
17	10	14	1
18	10	18	1
19	11	13	1
20	11	15	1
21	11	19	1
22	12	16	1
23	12	21	1
24	12	22	1
25	13	17	1
26	13	23	1
27	13	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1