@<TRIPOS>MOLECULE
67008033
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.6601    -4.0960    -0.8420	O.3	1	noname	-0.3705
2	O2    -0.0982    -3.9196     1.5925	O.3	1	noname	-0.2104
3	O3    -0.3434    -1.7411     1.0761	O.2	1	noname	-0.2450
4	N1     3.7215     1.3353    -0.9862	N.3	1	noname	-0.1559
5	C1    -0.7473    -1.9662    -1.5026	C.3	1	noname	0.0083
6	C2    -0.5228    -3.2559    -0.7106	C.3	1	noname	0.1464
7	C3     0.4219    -1.1024    -1.3675	C.2	1	noname	-0.0859
8	C4     1.4692    -1.2031    -2.2759	C.2	1	noname	-0.0603
9	C5     0.4879    -0.1792    -0.3304	C.2	1	noname	-0.0603
10	C6    -0.3170    -2.9323     0.6981	C.2	1	noname	0.1502
11	C7     2.5824    -0.3807    -2.1473	C.2	1	noname	-0.0696
12	C8     1.6011     0.6432    -0.2018	C.2	1	noname	-0.0696
13	C9     2.6483     0.5424    -1.1102	C.2	1	noname	-0.0367
14	C10    -1.8603    -4.4108    -2.2122	C.3	1	noname	0.0367
15	H1    -1.6265    -1.4507    -1.1160	H	1	noname	0.0348
16	H2    -0.9010    -2.2078    -2.5543	H	1	noname	0.0348
17	H3     0.3563    -3.7713    -1.0972	H	1	noname	0.0716
18	H4     1.4208    -1.8806    -3.0369	H	1	noname	0.0626
19	H5    -0.2806    -0.1052     0.3362	H	1	noname	0.0626
20	H6     3.3508    -0.4547    -2.8139	H	1	noname	0.0639
21	H7     1.6495     1.3207     0.5592	H	1	noname	0.0639
22	H8    -2.7332    -5.0557    -2.3130	H	1	noname	0.0529
23	H9    -2.0202    -3.4920    -2.7764	H	1	noname	0.0529
24	H10    -0.9811    -4.9262    -2.5988	H	1	noname	0.0529
25	H11     4.3532     1.1376    -1.6953	H	1	noname	0.1242
26	H12     3.4466     2.2635    -1.0476	H	1	noname	0.1242
27	H13     0.4498    -3.7486     2.3868	H	1	noname	0.2214
@<TRIPOS>BOND
1	6	1	1
2	1	14	1
3	2	10	1
4	2	27	1
5	3	10	2
6	4	13	1
7	4	25	1
8	4	26	1
9	5	6	1
10	5	7	1
11	5	15	1
12	5	16	1
13	6	10	1
14	6	17	1
15	7	8	2
16	7	9	1
17	8	11	1
18	8	18	1
19	9	12	2
20	9	19	1
21	11	13	2
22	11	20	1
23	12	13	1
24	12	21	1
25	14	22	1
26	14	23	1
27	14	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1