@<TRIPOS>MOLECULE
73425491
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.4944    -1.0587     0.3717	O.3	1	noname	-0.3749
2	O2     2.1329    -1.9514    -2.0024	O.3	1	noname	-0.2084
3	O3     1.8570    -3.7340    -0.6538	O.2	1	noname	-0.2425
4	C1     2.2051    -1.6708     0.4144	C.3	1	noname	0.1725
5	C2     0.9679    -0.8320     0.4734	C.2	1	noname	-0.0231
6	C3     0.8790     0.5987     0.4949	C.2	1	noname	-0.0278
7	C4    -0.4165     1.2293     0.5535	C.2	1	noname	-0.0372
8	C5     2.1708    -2.7099     1.5369	C.3	1	noname	-0.0220
9	C6    -0.2413    -1.5834     0.5112	C.2	1	noname	-0.0402
10	C7     2.0108     1.4638     0.4616	C.2	1	noname	-0.0434
11	C8    -1.5943     0.4436     0.5897	C.2	1	noname	-0.0464
12	C9     2.0560    -2.5058    -0.7739	C.2	1	noname	0.1538
13	C10    -1.5085    -0.9621     0.5686	C.2	1	noname	-0.0522
14	C11    -0.5243     2.6482     0.5757	C.2	1	noname	-0.0470
15	C12     1.9056     2.8609     0.4833	C.2	1	noname	-0.0563
16	C13     0.6323     3.4501     0.5405	C.2	1	noname	-0.0569
17	H1     1.1866    -3.1771     1.5695	H	1	noname	0.0269
18	H2     2.3729    -2.2216     2.4903	H	1	noname	0.0269
19	H3     2.9284    -3.4711     1.3507	H	1	noname	0.0269
20	H4    -0.2408    -2.6220     0.4981	H	1	noname	0.0626
21	H5     2.9676     1.1301     0.4199	H	1	noname	0.0629
22	H6    -2.5299     0.8822     0.6318	H	1	noname	0.0629
23	H7    -2.3677    -1.5271     0.5951	H	1	noname	0.0622
24	H8    -1.4467     3.1095     0.6176	H	1	noname	0.0629
25	H9     2.7576     3.4299     0.4572	H	1	noname	0.0622
26	H10     4.1848    -1.7533     0.3359	H	1	noname	0.2120
27	H11     0.5693     4.4801     0.5560	H	1	noname	0.0622
28	H12     1.6311    -2.3416    -2.7484	H	1	noname	0.2214
@<TRIPOS>BOND
1	4	1	1
2	1	26	1
3	2	12	1
4	2	28	1
5	3	12	2
6	4	5	1
7	4	8	1
8	4	12	1
9	5	6	1
10	5	9	2
11	6	7	1
12	6	10	2
13	7	11	1
14	7	14	2
15	8	17	1
16	8	18	1
17	8	19	1
18	9	13	1
19	9	20	1
20	10	15	1
21	10	21	1
22	11	13	2
23	11	22	1
24	13	23	1
25	14	16	1
26	14	24	1
27	15	16	2
28	15	25	1
29	16	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1