@<TRIPOS>MOLECULE
70067167
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.8070    -1.9767     3.5779	O.3	1	noname	-0.2774
2	O2     0.4751     0.0194     4.9531	O.3	1	noname	-0.2772
3	N1     2.4750     2.7763    -1.0704	N.3	1	noname	-0.3273
4	C1     1.2654     1.9681    -1.2344	C.3	1	noname	0.0084
5	C2     0.0428     2.7304    -0.6421	C.3	1	noname	-0.0336
6	C3     1.4854     0.5528    -0.6127	C.3	1	noname	0.0146
7	C4    -0.0891     2.6658     0.9070	C.3	1	noname	0.0065
8	C5     1.2098     0.4259     0.8421	C.2	1	noname	-0.0621
9	C6     0.4720     1.4508     1.5470	C.2	1	noname	-0.0614
10	C7     1.6672    -0.7410     1.5195	C.2	1	noname	-0.0270
11	C8     0.2396     1.3210     2.9470	C.2	1	noname	-0.0282
12	C9     1.3975    -0.8713     2.9199	C.2	1	noname	0.0129
13	C10     0.7002     0.1544     3.6288	C.2	1	noname	0.0139
14	H1     1.1428     1.8735    -2.3214	H	1	noname	0.0465
15	H2    -0.8738     2.3591    -1.1006	H	1	noname	0.0286
16	H3     0.0855     3.7737    -0.9548	H	1	noname	0.0286
17	H4     0.8932    -0.1806    -1.1600	H	1	noname	0.0332
18	H5     2.4987     0.2043    -0.8126	H	1	noname	0.0332
19	H6    -1.1370     2.7732     1.1872	H	1	noname	0.0316
20	H7     0.4258     3.5092     1.3671	H	1	noname	0.0316
21	H8     2.1762    -1.4685     1.0175	H	1	noname	0.0654
22	H9    -0.2514     2.0550     3.4574	H	1	noname	0.0654
23	H10     2.6343     2.9533    -0.0765	H	1	noname	0.1186
24	H11     2.3595     3.6656    -1.5606	H	1	noname	0.1186
25	H12     2.2655    -2.5773     2.9539	H	1	noname	0.2183
26	H13    -0.0108     0.8038     5.2834	H	1	noname	0.2183
@<TRIPOS>BOND
1	1	12	1
2	1	25	1
3	2	13	1
4	2	26	1
5	4	3	1
6	3	23	1
7	3	24	1
8	4	5	1
9	4	6	1
10	4	14	1
11	5	7	1
12	5	15	1
13	5	16	1
14	6	8	1
15	6	17	1
16	6	18	1
17	7	9	1
18	7	19	1
19	7	20	1
20	8	9	1
21	8	10	2
22	9	11	2
23	10	12	1
24	10	21	1
25	11	13	1
26	11	22	1
27	12	13	2
@<TRIPOS>SUBSTRUCTURE
1	noname	1