@<TRIPOS>MOLECULE
50078829
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.8656    -0.6783    -3.1712	O.2	1	noname	-0.3012
2	C1    -0.4106     0.1028    -2.3079	C.2	1	noname	0.0938
3	C2    -1.1259     0.3951    -1.0655	C.2	1	noname	0.0237
4	C3     0.9635     0.8339    -2.4840	C.3	1	noname	0.0112
5	C4    -0.7709     1.3451    -0.1815	C.2	1	noname	-0.0318
6	C5     1.1182     2.1681    -1.6990	C.3	1	noname	-0.0300
7	C6     0.3813     2.2340    -0.3188	C.3	1	noname	0.0666
8	C7    -1.5851     1.4974     0.9842	C.3	1	noname	-0.0427
9	C8    -0.0303     3.6091    -0.0520	C.2	1	noname	0.1436
10	O2     0.4985     4.2497     0.8821	O.2	1	noname	-0.2516
11	O3    -0.9820     4.1888    -0.8141	O.3	1	noname	-0.2053
12	C9    -1.3823     5.5262    -0.5546	C.3	1	noname	0.0536
13	C10    -2.4655     5.9374    -1.5539	C.3	1	noname	-0.0409
14	H1    -2.0189    -0.1538    -0.7665	H	1	noname	0.0659
15	H2     1.7097     0.1619    -2.0601	H	1	noname	0.0350
16	H3     1.0153     1.1113    -3.5368	H	1	noname	0.0350
17	H4     2.1806     2.2438    -1.4671	H	1	noname	0.0282
18	H5     0.6411     2.9250    -2.3215	H	1	noname	0.0282
19	H6     1.0507     1.8936     0.4713	H	1	noname	0.0455
20	H7    -1.8546     0.5143     1.3701	H	1	noname	0.0276
21	H8    -1.0310     2.0470     1.7451	H	1	noname	0.0276
22	H9    -2.4903     2.0470     0.7260	H	1	noname	0.0276
23	H10    -1.8292     5.5083     0.4394	H	1	noname	0.0570
24	H11    -0.4990     6.1361    -0.7441	H	1	noname	0.0570
25	H12    -3.3503     6.2732    -1.0130	H	1	noname	0.0254
26	H13    -2.0932     6.7480    -2.1803	H	1	noname	0.0254
27	H14    -2.7248     5.0838    -2.1803	H	1	noname	0.0254
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	4	6	1
6	7	5	1
7	5	8	1
8	6	7	1
9	7	9	1
10	9	10	2
11	9	11	1
12	11	12	1
13	12	13	1
14	3	14	1
15	4	15	1
16	4	16	1
17	6	17	1
18	6	18	1
19	7	19	1
20	8	20	1
21	8	21	1
22	8	22	1
23	12	23	1
24	12	24	1
25	13	25	1
26	13	26	1
27	13	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1