@<TRIPOS>MOLECULE
118092317
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1    -2.4616    -2.4789    -0.7276	N.3	1	noname	-0.3276
2	C1    -1.0390    -0.8813     0.4528	C.3	1	noname	0.0143
3	C2    -1.0792    -2.0390    -0.5466	C.3	1	noname	0.0052
4	C3     0.3416    -0.4420     0.6335	C.2	1	noname	-0.0619
5	C4     1.1301    -1.0174     1.6230	C.2	1	noname	-0.0609
6	C5    -0.5122    -1.5736    -1.8893	C.3	1	noname	-0.0497
7	C6     0.8674     0.5516    -0.1841	C.2	1	noname	-0.0652
8	C7     2.4445    -0.5992     1.7950	C.2	1	noname	-0.0679
9	C8     0.5778    -2.0610     2.4817	C.3	1	noname	-0.0019
10	C9     2.1818     0.9698    -0.0121	C.2	1	noname	-0.0714
11	C10     2.9703     0.3944     0.9775	C.2	1	noname	-0.0700
12	H1    -1.6372    -0.0528     0.0733	H	1	noname	0.0332
13	H2    -1.4429    -1.2128     1.4093	H	1	noname	0.0332
14	H3    -0.4810    -2.8675    -0.1672	H	1	noname	0.0462
15	H4     0.5185    -1.2457    -1.7544	H	1	noname	0.0246
16	H5    -1.1104    -0.7452    -2.2688	H	1	noname	0.0246
17	H6    -0.5408    -2.3985    -2.6013	H	1	noname	0.0246
18	H7     0.2887     0.9739    -0.9102	H	1	noname	0.0625
19	H8    -2.4885    -3.2523    -1.3951	H	1	noname	0.1186
20	H9    -3.0225    -1.7022    -1.0833	H	1	noname	0.1186
21	H10     3.0232    -1.0214     2.5211	H	1	noname	0.0625
22	H11     0.6165    -1.7347     3.5210	H	1	noname	0.0280
23	H12    -0.4573    -2.2537     2.1996	H	1	noname	0.0280
24	H13     1.1620    -2.9740     2.3656	H	1	noname	0.0280
25	H14     2.5676     1.6990    -0.6120	H	1	noname	0.0622
26	H15     3.9349     0.7013     1.1037	H	1	noname	0.0622
@<TRIPOS>BOND
1	3	1	1
2	1	19	1
3	1	20	1
4	2	3	1
5	2	4	1
6	2	12	1
7	2	13	1
8	3	6	1
9	3	14	1
10	4	5	1
11	4	7	2
12	5	8	2
13	5	9	1
14	6	15	1
15	6	16	1
16	6	17	1
17	7	10	1
18	7	18	1
19	8	11	1
20	8	21	1
21	9	22	1
22	9	23	1
23	9	24	1
24	10	11	2
25	10	25	1
26	11	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1