@<TRIPOS>MOLECULE
50362910
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.6062     1.2104    -1.8011	O.2	1	noname	-0.2499
2	C1     1.6646     0.7203    -1.1411	C.2	1	noname	0.1387
3	N1     0.5034     0.3010    -1.6858	N.3	1	noname	-0.0778
4	N2     1.6935     0.5501     0.1983	N.3	1	noname	-0.0858
5	C2    -0.2331    -0.1465    -0.6588	C.2	1	noname	0.0947
6	C3     0.1410     0.3279    -3.0482	C.3	1	noname	0.0160
7	C4     0.5292    -0.0322     0.5081	C.2	1	noname	0.0832
8	N3    -1.4877    -0.6883    -0.5962	N.2	1	noname	-0.2017
9	C5     0.5679    -0.9810    -3.7154	C.3	1	noname	-0.0333
10	N4     0.0201    -0.5058     1.6914	N.2	1	noname	-0.2045
11	C6    -2.0213    -1.1480     0.5820	C.2	1	noname	0.0498
12	C7     0.1747    -0.9519    -5.1937	C.3	1	noname	-0.0615
13	C8    -0.1283    -2.1559    -3.0255	C.3	1	noname	-0.0615
14	C9    -1.2281    -1.0703     1.7692	C.2	1	noname	0.0363
15	C10    -3.3057    -1.6779     0.6202	C.2	1	noname	-0.0409
16	C11    -4.2712    -1.2251    -0.2714	C.2	1	noname	-0.0207
17	C12    -3.6247    -2.6606     1.5500	C.2	1	noname	-0.0207
18	C13    -5.5557    -1.7550    -0.2332	C.2	1	noname	-0.0231
19	C14    -4.9092    -3.1906     1.5882	C.2	1	noname	-0.0231
20	C15    -5.8747    -2.7377     0.6966	C.2	1	noname	0.0104
21	O2    -7.1222    -3.2524     0.7338	O.3	1	noname	-0.2848
22	H1     2.4332     0.8056     0.8367	H	1	noname	0.1401
23	H2    -0.9480     0.3740    -3.0561	H	1	noname	0.0443
24	H3     0.7240     1.1383    -3.4858	H	1	noname	0.0443
25	H4     1.6483    -1.0974    -3.6291	H	1	noname	0.0310
26	H5     0.0762    -1.9724    -5.5637	H	1	noname	0.0233
27	H6    -0.7763    -0.4312    -5.3065	H	1	noname	0.0233
28	H7     0.9439    -0.4312    -5.7641	H	1	noname	0.0233
29	H8    -0.0574    -2.0363    -1.9444	H	1	noname	0.0233
30	H9    -1.1774    -2.1805    -3.3204	H	1	noname	0.0233
31	H10     0.3539    -3.0879    -3.3204	H	1	noname	0.0233
32	H11    -1.5749    -1.4415     2.7336	H	1	noname	0.0863
33	H12    -4.0210    -0.4544    -1.0005	H	1	noname	0.0630
34	H13    -2.8677    -3.0157     2.2492	H	1	noname	0.0630
35	H14    -6.3127    -1.3999    -0.9323	H	1	noname	0.0650
36	H15    -5.1594    -3.9612     2.3174	H	1	noname	0.0650
37	H16    -7.3948    -3.3649     1.6473	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	5	8	1
8	5	7	2
9	6	9	1
10	7	10	1
11	8	11	2
12	9	12	1
13	9	13	1
14	10	14	2
15	11	15	1
16	11	14	1
17	15	16	2
18	15	17	1
19	16	18	1
20	17	19	2
21	18	20	2
22	19	20	1
23	20	21	1
24	4	22	1
25	6	23	1
26	6	24	1
27	9	25	1
28	12	26	1
29	12	27	1
30	12	28	1
31	13	29	1
32	13	30	1
33	13	31	1
34	14	32	1
35	16	33	1
36	17	34	1
37	18	35	1
38	19	36	1
39	21	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1