@<TRIPOS>MOLECULE
76962742
24 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.2475     1.9747     2.0137	S.3	1	noname	-0.0774
2	N1     1.0332     0.4589     0.5864	N.3	1	noname	-0.0100
3	N2    -0.7909     0.8394    -0.5171	N.2	1	noname	-0.2350
4	C1    -0.1349    -0.1515    -1.2587	C.3	1	noname	0.0909
5	C2     1.2514    -0.2964    -0.5844	C.3	1	noname	0.0363
6	C3     0.0365     0.1354    -2.7602	C.2	1	noname	-0.0436
7	C4    -0.0894     1.0881     0.5277	C.2	1	noname	-0.0156
8	C5     1.7484     0.5569     1.7227	C.2	1	noname	-0.0758
9	C6    -1.0817     0.3313    -3.5624	C.2	1	noname	-0.0498
10	C7     1.3094     0.1986    -3.3149	C.2	1	noname	-0.0498
11	C8     1.2375     1.3167     2.7115	C.2	1	noname	-0.0055
12	C9    -0.9268     0.5905    -4.9192	C.2	1	noname	-0.0586
13	C10     1.4643     0.4578    -4.6717	C.2	1	noname	-0.0586
14	C11     0.3461     0.6538    -5.4739	C.2	1	noname	-0.0611
15	H1    -0.7141    -1.0782    -1.1395	H	1	noname	0.0617
16	H2     1.4184    -1.3399    -0.3177	H	1	noname	0.0465
17	H3     2.0519     0.1474    -1.1764	H	1	noname	0.0465
18	H4     2.6148     0.0896     1.8278	H	1	noname	0.0761
19	H5    -2.0158     0.2849    -3.1554	H	1	noname	0.0626
20	H6     2.1300     0.0548    -2.7263	H	1	noname	0.0626
21	H7     1.6073     1.4704     3.6169	H	1	noname	0.0711
22	H8    -1.7474     0.7343    -5.5078	H	1	noname	0.0622
23	H9     2.3984     0.5042    -5.0787	H	1	noname	0.0622
24	H10     0.4597     0.8440    -6.4695	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	7	1
2	1	11	1
3	2	5	1
4	2	7	1
5	2	8	1
6	3	4	1
7	3	7	2
8	4	5	1
9	4	6	1
10	4	15	1
11	5	16	1
12	5	17	1
13	6	9	2
14	6	10	1
15	8	11	2
16	8	18	1
17	9	12	1
18	9	19	1
19	10	13	2
20	10	20	1
21	11	21	1
22	12	14	2
23	12	22	1
24	13	14	1
25	13	23	1
26	14	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1