@<TRIPOS>MOLECULE
118958
37 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.2457    -0.1618     0.0015	O.3	1	noname	-0.3531
2	C1     1.6753     1.1258    -0.1205	C.2	1	noname	0.1320
3	C2    -0.0903    -0.1267     0.1332	C.2	1	noname	0.0344
4	N1     0.6472     1.9929    -0.0711	N.2	1	noname	-0.2002
5	N2     2.9580     1.4831    -0.2707	N.3	1	noname	-0.0643
6	C3    -0.4385     1.2300     0.0752	C.2	1	noname	0.0482
7	C4    -1.0119    -1.1986     0.2856	C.2	1	noname	0.0070
8	C5    -1.7788     1.6232     0.1445	C.2	1	noname	0.0258
9	C6    -2.3700    -0.7890     0.3447	C.2	1	noname	-0.0109
10	C7    -2.7761     0.5925     0.2637	C.2	1	noname	-0.0082
11	C8    -4.1800     0.9395     0.2896	C.2	1	noname	0.0346
12	N3    -5.1360    -0.0410     0.4023	N.2	1	noname	-0.2630
13	C9    -4.6656     2.2818     0.1956	C.2	1	noname	0.0339
14	N4    -6.4322     0.2201     0.4321	N.3	1	noname	-0.0501
15	C10    -6.0455     2.5776     0.2350	C.2	1	noname	0.0223
16	C11    -6.9091     1.4699     0.3760	C.2	1	noname	0.0180
17	C12    -7.4772    -0.6134     0.5450	C.2	1	noname	-0.0416
18	N5    -8.2485     1.4546     0.4938	N.2	1	noname	-0.2199
19	C13    -7.4155    -2.0189     0.6030	C.2	1	noname	-0.0105
20	C14    -8.6333     0.1772     0.5950	C.2	1	noname	0.0294
21	C15    -6.3351    -2.6955    -0.0876	C.2	1	noname	-0.0042
22	C16    -8.4245    -2.7453     1.3462	C.2	1	noname	-0.0042
23	C17    -6.2877    -4.1114    -0.0133	C.2	1	noname	0.0049
24	C18    -8.3321    -4.1584     1.3813	C.2	1	noname	0.0049
25	N6    -7.2805    -4.7542     0.7084	N.2	1	noname	-0.2493
26	H1     3.6761     0.7751    -0.3272	H	1	noname	0.1278
27	H2     3.2067     2.4603    -0.3272	H	1	noname	0.1278
28	H3    -0.7044    -2.2423     0.3512	H	1	noname	0.0651
29	H4    -2.0338     2.6823     0.1075	H	1	noname	0.0653
30	H5    -3.1288    -1.5635     0.4564	H	1	noname	0.0630
31	H6    -3.9608     3.1066     0.0906	H	1	noname	0.0647
32	H7    -6.4209     3.5982     0.1610	H	1	noname	0.0660
33	H8    -9.6682    -0.1497     0.6967	H	1	noname	0.0861
34	H9    -5.5757    -2.1520    -0.6498	H	1	noname	0.0645
35	H10    -9.2365    -2.2391     1.8682	H	1	noname	0.0645
36	H11    -5.5051    -4.6932    -0.5005	H	1	noname	0.0839
37	H12    -9.0554    -4.7747     1.9153	H	1	noname	0.0839
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	3	7	1
7	4	6	1
8	6	8	1
9	7	9	2
10	8	10	2
11	9	10	1
12	10	11	1
13	11	12	2
14	11	13	1
15	12	14	1
16	13	15	2
17	14	16	1
18	14	17	1
19	15	16	1
20	16	18	2
21	17	19	1
22	17	20	2
23	18	20	1
24	19	21	2
25	19	22	1
26	21	23	1
27	22	24	2
28	23	25	2
29	24	25	1
30	5	26	1
31	5	27	1
32	7	28	1
33	8	29	1
34	9	30	1
35	13	31	1
36	15	32	1
37	20	33	1
38	21	34	1
39	22	35	1
40	23	36	1
41	24	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1