@<TRIPOS>MOLECULE
71587187
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.4100    -2.6822    -0.7944	O.3	1	noname	-0.2770
2	O2    -1.2191    -3.3973    -2.2750	O.3	1	noname	-0.2762
3	N1    -0.5156     2.7455    -0.6589	N.3	1	noname	-0.3098
4	C1    -1.3564     1.7699     0.1051	C.3	1	noname	0.0296
5	C2    -1.3803     0.4136    -0.5566	C.2	1	noname	-0.0527
6	C3     0.9394     0.9115    -1.6125	C.3	1	noname	0.0152
7	C4    -0.2278     0.0148    -1.3619	C.2	1	noname	-0.0505
8	C5     0.8748     2.3069    -0.9381	C.3	1	noname	-0.0002
9	C6    -2.7262     2.4902     0.3277	C.3	1	noname	-0.0455
10	C7    -2.4568    -0.5274    -0.3512	C.2	1	noname	-0.0164
11	C8    -0.1627    -1.2865    -1.9487	C.2	1	noname	-0.0236
12	C9    -2.3945    -1.8071    -0.9538	C.2	1	noname	0.0174
13	C10    -1.2601    -2.1648    -1.7256	C.2	1	noname	0.0215
14	H1    -0.8918     1.6082     1.0871	H	1	noname	0.0513
15	H2     1.0801     1.0331    -2.6865	H	1	noname	0.0329
16	H3     1.8553     0.3925    -1.3296	H	1	noname	0.0329
17	H4     1.3664     3.0417    -1.5757	H	1	noname	0.0431
18	H5     1.3715     2.2103     0.0273	H	1	noname	0.0431
19	H6    -0.4979     3.6400    -0.1649	H	1	noname	0.1228
20	H7    -3.3960     1.8335     0.8830	H	1	noname	0.0250
21	H8    -3.1713     2.7309    -0.6377	H	1	noname	0.0250
22	H9    -2.5663     3.4083     0.8931	H	1	noname	0.0250
23	H10    -3.2582    -0.2712     0.2255	H	1	noname	0.0654
24	H11     0.6408    -1.5753    -2.5068	H	1	noname	0.0654
25	H12    -4.1068    -2.2762    -0.2376	H	1	noname	0.2183
26	H13    -0.3838    -3.5039    -2.7762	H	1	noname	0.2183
@<TRIPOS>BOND
1	1	12	1
2	1	25	1
3	2	13	1
4	2	26	1
5	3	4	1
6	3	8	1
7	3	19	1
8	4	5	1
9	4	9	1
10	4	14	1
11	5	7	1
12	5	10	2
13	6	7	1
14	6	8	1
15	6	15	1
16	6	16	1
17	7	11	2
18	8	17	1
19	8	18	1
20	9	20	1
21	9	21	1
22	9	22	1
23	10	12	1
24	10	23	1
25	11	13	1
26	11	24	1
27	12	13	2
@<TRIPOS>SUBSTRUCTURE
1	noname	1