@<TRIPOS>MOLECULE
55296073
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.4041     0.1217    -0.3507	S.3	1	noname	-0.2109
2	N1     2.0898     1.6893     0.3401	N.2	1	noname	-0.2352
3	C1     3.4087    -1.4573    -0.6959	C.3	1	noname	-0.0469
4	C2     4.4851    -2.4948    -0.3705	C.3	1	noname	-0.0531
5	C3     3.0823    -0.6494     0.5617	C.3	1	noname	0.0622
6	C4     4.8116    -3.3027    -1.6281	C.3	1	noname	-0.0561
7	C5     2.0551     0.3406     0.2512	C.2	1	noname	0.0532
8	C6     5.8880    -4.3402    -1.3027	C.3	1	noname	-0.0654
9	C7    -0.1997     1.7782    -0.4722	C.2	1	noname	0.0353
10	C8     0.9764     2.4054    -0.0167	C.2	1	noname	0.0171
11	C9    -1.4872     2.3166    -0.9013	C.3	1	noname	0.0310
12	H1     2.5094    -1.9642    -1.0457	H	1	noname	0.0271
13	H2     3.7738    -0.7868    -1.4739	H	1	noname	0.0271
14	H3     4.1201    -3.1653     0.4075	H	1	noname	0.0266
15	H4     5.3844    -1.9879    -0.0207	H	1	noname	0.0266
16	H5     2.7172    -1.3200     1.3397	H	1	noname	0.0340
17	H6     3.9816    -0.1425     0.9116	H	1	noname	0.0340
18	H7     3.9123    -3.8096    -1.9780	H	1	noname	0.0264
19	H8     5.1766    -2.6322    -2.4061	H	1	noname	0.0264
20	H9     6.1206    -4.9157    -2.1987	H	1	noname	0.0230
21	H10     5.5229    -5.0107    -0.5247	H	1	noname	0.0230
22	H11     6.7873    -3.8332    -0.9529	H	1	noname	0.0230
23	H12     1.0005     3.4230     0.0496	H	1	noname	0.0851
24	H13    -2.2765     1.9263    -0.2589	H	1	noname	0.0288
25	H14    -1.6789     2.0212    -1.9329	H	1	noname	0.0288
26	H15    -1.4673     3.4042    -0.8325	H	1	noname	0.0288
@<TRIPOS>BOND
1	1	7	1
2	1	9	1
3	2	7	2
4	2	10	1
5	3	4	1
6	3	5	1
7	3	12	1
8	3	13	1
9	4	6	1
10	4	14	1
11	4	15	1
12	5	7	1
13	5	16	1
14	5	17	1
15	6	8	1
16	6	18	1
17	6	19	1
18	8	20	1
19	8	21	1
20	8	22	1
21	9	10	2
22	9	11	1
23	10	23	1
24	11	24	1
25	11	25	1
26	11	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1