@<TRIPOS>MOLECULE
63651246
39 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.1805     2.0130     0.2997	O.2	1	noname	-0.2941
2	O2     3.0531    -0.7820    -2.5074	O.3	1	noname	-0.2147
3	O3     1.4192     3.6494     1.6414	O.3	1	noname	-0.2147
4	O4     1.8595    -0.9143    -0.6021	O.2	1	noname	-0.2505
5	O5     2.9463     4.4581     0.1969	O.2	1	noname	-0.2505
6	N1     0.8751     1.9041    -0.7931	N.3	1	noname	-0.0562
7	C1     0.7220    -2.0198     1.2646	C.3	1	noname	-0.0528
8	C2     2.2010    -2.3734     1.3510	C.3	1	noname	-0.0533
9	C3     0.6289    -0.5004     1.3236	C.3	1	noname	-0.0450
10	C4     2.3910    -3.8698     1.5765	C.3	1	noname	-0.0535
11	C5    -0.3935    -0.0918     0.2483	C.3	1	noname	0.0214
12	C6     3.8854    -4.1877     1.6579	C.3	1	noname	-0.0561
13	C7    -0.2024     1.3280    -0.1033	C.2	1	noname	0.0475
14	C8     4.0759    -5.6888     1.8842	C.3	1	noname	-0.0654
15	C9     1.0585     3.3350    -0.8150	C.3	1	noname	0.0924
16	C10     1.7581     1.2315    -1.7388	C.3	1	noname	0.0924
17	C11     1.8697     3.8514     0.3849	C.2	1	noname	0.1425
18	C12     2.2341    -0.2364    -1.5832	C.2	1	noname	0.1425
19	H1     0.1954    -2.4494     2.1168	H	1	noname	0.0267
20	H2     0.2539    -2.4258     0.3679	H	1	noname	0.0267
21	H3     2.6593    -1.8212     2.1714	H	1	noname	0.0266
22	H4     2.7291    -2.0477     0.4548	H	1	noname	0.0266
23	H5     0.2650    -0.1965     2.3051	H	1	noname	0.0271
24	H6     1.5802    -0.0173     1.1006	H	1	noname	0.0271
25	H7     1.9062    -4.1612     2.5083	H	1	noname	0.0266
26	H8     1.9468    -4.4214     0.7479	H	1	noname	0.0266
27	H9    -1.4030    -0.2383     0.6324	H	1	noname	0.0361
28	H10    -0.1552    -0.6884    -0.6322	H	1	noname	0.0361
29	H11     4.3295    -3.6361     2.4865	H	1	noname	0.0264
30	H12     4.3701    -3.8963     0.7261	H	1	noname	0.0264
31	H13     5.1405    -5.9153     1.9421	H	1	noname	0.0230
32	H14     3.5912    -5.9802     2.8160	H	1	noname	0.0230
33	H15     3.6317    -6.2404     1.0556	H	1	noname	0.0230
34	H16     1.3917     1.3891    -2.7532	H	1	noname	0.0544
35	H17     2.6521     1.8479    -1.8337	H	1	noname	0.0544
36	H18     0.0855     3.8258    -0.8340	H	1	noname	0.0544
37	H19     1.6470     3.6118    -1.6898	H	1	noname	0.0544
38	H20     3.6907    -1.4790    -2.2467	H	1	noname	0.2213
39	H21     2.0554     3.5564     2.3810	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	13	2
2	2	18	1
3	2	38	1
4	3	17	1
5	3	39	1
6	4	18	2
7	5	17	2
8	6	13	1
9	6	15	1
10	6	16	1
11	7	8	1
12	7	9	1
13	7	19	1
14	7	20	1
15	8	10	1
16	8	21	1
17	8	22	1
18	9	11	1
19	9	23	1
20	9	24	1
21	10	12	1
22	10	25	1
23	10	26	1
24	11	13	1
25	11	27	1
26	11	28	1
27	12	14	1
28	12	29	1
29	12	30	1
30	14	31	1
31	14	32	1
32	14	33	1
33	15	17	1
34	15	36	1
35	15	37	1
36	16	18	1
37	16	34	1
38	16	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1