@<TRIPOS>MOLECULE
118954
38 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.4059    -0.0137    -0.0174	O.3	1	noname	-0.3544
2	C1     1.7938     1.2887    -0.0695	C.2	1	noname	0.1318
3	C2     0.0645    -0.0134     0.0980	C.2	1	noname	0.0282
4	N1     0.7297     2.1149     0.0105	N.2	1	noname	-0.2007
5	N2     3.0647     1.6975    -0.1851	N.3	1	noname	-0.0643
6	C3    -0.3457     1.3270     0.1068	C.2	1	noname	0.0443
7	C4    -0.8183    -1.1197     0.1851	C.2	1	noname	0.0027
8	C5    -1.7051     1.6664     0.1850	C.2	1	noname	0.0124
9	C6    -2.1886    -0.7663     0.2589	C.2	1	noname	-0.0248
10	C7    -2.6662     0.6033     0.2478	C.2	1	noname	-0.0195
11	C8    -4.0872     0.9558     0.2803	C.2	1	noname	-0.0222
12	C9    -5.0574    -0.0779     0.3357	C.2	1	noname	-0.0650
13	C10    -4.6335     2.3021     0.2543	C.2	1	noname	0.0093
14	N3    -6.3972     0.1955     0.3678	N.3	1	noname	-0.1029
15	C11    -6.0185     2.6172     0.2862	C.2	1	noname	0.0078
16	C12    -6.8585     1.4814     0.3459	C.2	1	noname	-0.0006
17	C13    -7.4757    -0.6550     0.4254	C.2	1	noname	-0.0702
18	N4    -8.1930     1.4973     0.3886	N.2	1	noname	-0.2274
19	C14    -7.4624    -2.1073     0.4652	C.2	1	noname	-0.0120
20	C15    -8.5969     0.2158     0.4373	C.2	1	noname	0.0211
21	C16    -8.6997    -2.8401     0.5248	C.2	1	noname	-0.0074
22	C17    -6.1999    -2.8064     0.4441	C.2	1	noname	-0.0074
23	C18    -8.6515    -4.2523     0.5622	C.2	1	noname	0.0040
24	C19    -6.1429    -4.2107     0.4810	C.2	1	noname	0.0040
25	N5    -7.3859    -4.8069     0.5371	N.2	1	noname	-0.2522
26	H1     3.8115     1.0189    -0.2287	H	1	noname	0.1278
27	H2     3.2758     2.6842    -0.2287	H	1	noname	0.1278
28	H3    -0.4730    -2.1535     0.1945	H	1	noname	0.0651
29	H4    -2.0029     2.7149     0.1966	H	1	noname	0.0652
30	H5    -2.9065    -1.5837     0.3273	H	1	noname	0.0630
31	H6    -4.7609    -1.1266     0.3544	H	1	noname	0.0802
32	H7    -3.9464     3.1469     0.2068	H	1	noname	0.0630
33	H8    -6.4017     3.6374     0.2666	H	1	noname	0.0659
34	H9    -9.6486    -0.0674     0.4792	H	1	noname	0.0860
35	H10    -9.6632    -2.3308     0.5416	H	1	noname	0.0645
36	H11    -5.2599    -2.2565     0.3988	H	1	noname	0.0645
37	H12    -9.5417    -4.8795     0.6079	H	1	noname	0.0839
38	H13    -5.2173    -4.7861     0.4673	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	12	31	1
36	13	32	1
37	15	33	1
38	20	34	1
39	21	35	1
40	22	36	1
41	23	37	1
42	24	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1