@<TRIPOS>MOLECULE
120285
37 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.3864    -0.0451    -0.0324	O.3	1	noname	-0.3531
2	C1     1.7930     1.2424    -0.2030	C.2	1	noname	0.1319
3	C2     0.0458    -0.0227     0.1174	C.2	1	noname	0.0354
4	N1     0.7387     2.0822    -0.1636	N.2	1	noname	-0.2002
5	N2     3.0649     1.6229    -0.3849	N.3	1	noname	-0.0643
6	C3    -0.3435     1.3225     0.0328	C.2	1	noname	0.0480
7	C4    -0.8583    -1.0975     0.3235	C.2	1	noname	0.0068
8	C5    -1.6986     1.6926     0.1415	C.2	1	noname	0.0262
9	C6    -2.2248    -0.7157     0.4287	C.2	1	noname	-0.0103
10	C7    -2.6785     0.6536     0.3305	C.2	1	noname	-0.0089
11	C8    -4.0947     0.9636     0.3816	C.2	1	noname	0.0571
12	N3    -5.0056    -0.0674     0.4164	N.2	1	noname	-0.2128
13	C9    -4.6111     2.3076     0.3804	C.2	1	noname	-0.0005
14	C10    -6.3435     0.1654     0.4410	C.2	1	noname	0.0181
15	C11    -6.0055     2.5283     0.4139	C.2	1	noname	-0.0422
16	N4    -6.8120     1.4348     0.4366	N.3	1	noname	-0.0642
17	C12    -7.4217    -0.6946     0.4676	C.2	1	noname	0.0591
18	N5    -8.1006     1.4322     0.4463	N.2	1	noname	-0.2993
19	C13    -7.4049    -2.1110     0.4977	C.2	1	noname	-0.0157
20	C14    -8.5274     0.1641     0.4610	C.2	1	noname	0.0438
21	C15    -8.6593    -2.8342     0.5249	C.2	1	noname	-0.0021
22	C16    -6.1327    -2.8058     0.5029	C.2	1	noname	-0.0021
23	C17    -8.6168    -4.2476     0.5554	C.2	1	noname	0.0042
24	C18    -6.1434    -4.2214     0.5338	C.2	1	noname	0.0042
25	N6    -7.3739    -4.8545     0.5580	N.2	1	noname	-0.2439
26	H1     3.7949     0.9283    -0.4534	H	1	noname	0.1278
27	H2     3.2936     2.6043    -0.4534	H	1	noname	0.1278
28	H3    -0.5292    -2.1342     0.3953	H	1	noname	0.0651
29	H4    -1.9788     2.7443     0.0817	H	1	noname	0.0653
30	H5    -2.9564    -1.5071     0.5918	H	1	noname	0.0630
31	H6    -3.9402     3.1662     0.3539	H	1	noname	0.0659
32	H7    -6.4506     3.5232     0.4220	H	1	noname	0.0814
33	H8    -9.5805    -0.1171     0.4666	H	1	noname	0.0864
34	H9    -9.6214    -2.3220     0.5225	H	1	noname	0.0645
35	H10    -5.1825    -2.2719     0.4838	H	1	noname	0.0645
36	H11    -9.5213    -4.8554     0.5765	H	1	noname	0.0839
37	H12    -5.2260    -4.8101     0.5388	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	2
19	15	16	1
20	16	18	1
21	17	19	1
22	17	20	1
23	18	20	2
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