@<TRIPOS>MOLECULE
118988657
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.9780     4.0015    -1.5212	O.3	1	noname	-0.3852
2	O2     0.5462     5.1746     1.5632	O.3	1	noname	-0.3858
3	O3    -0.1791    -4.6097     1.5759	O.3	1	noname	-0.2826
4	C1     0.2017     2.5148    -0.0863	C.2	1	noname	-0.0263
5	C2    -0.4802     3.8401    -0.1959	C.3	1	noname	0.1092
6	C3     0.0144     0.1399     0.4267	C.2	1	noname	-0.0286
7	C4     1.6055     2.3423    -0.2951	C.2	1	noname	-0.0261
8	C5     1.4356    -0.0170     0.1881	C.2	1	noname	-0.0384
9	C6     0.5195     4.9727     0.1544	C.3	1	noname	0.1026
10	C7    -0.5870     1.4208     0.2843	C.2	1	noname	-0.0269
11	C8    -0.7731    -1.0092     0.7565	C.2	1	noname	-0.0326
12	C9     2.2526     1.0810    -0.1987	C.2	1	noname	-0.0343
13	C10     2.0655    -1.2827     0.3288	C.2	1	noname	-0.0372
14	C11    -0.0826    -2.2665     0.9846	C.2	1	noname	-0.0188
15	C12     2.3597     3.4693    -0.5064	C.2	1	noname	-0.0428
16	C13     1.8763     4.7060    -0.3039	C.2	1	noname	-0.0515
17	C14     1.3133    -2.4043     0.7709	C.2	1	noname	-0.0378
18	C15    -2.2154    -0.9811     0.8016	C.2	1	noname	-0.0579
19	C16    -0.8157    -3.4520     1.2983	C.2	1	noname	0.0106
20	C17     3.4846    -1.4310     0.0193	C.3	1	noname	0.0025
21	C18    -2.9401    -2.1630     1.0770	C.2	1	noname	-0.0472
22	C19    -2.2404    -3.3761     1.3094	C.2	1	noname	-0.0280
23	H1    -1.3481     3.9054     0.4776	H	1	noname	0.0683
24	H2     0.1803     5.8993    -0.2998	H	1	noname	0.0676
25	H3    -1.5861     1.5408     0.4512	H	1	noname	0.0633
26	H4     3.2472     0.9693    -0.3957	H	1	noname	0.0635
27	H5     3.2934     3.3672    -0.8191	H	1	noname	0.0626
28	H6     2.4735     5.4768    -0.4752	H	1	noname	0.0604
29	H7     1.7727    -3.3004     0.9331	H	1	noname	0.0633
30	H8    -2.7129    -0.1065     0.6344	H	1	noname	0.0629
31	H9     3.6078    -2.1619    -0.7798	H	1	noname	0.0280
32	H10     3.8888    -0.4707    -0.3011	H	1	noname	0.0280
33	H11     4.0166    -1.7709     0.9078	H	1	noname	0.0280
34	H12    -1.6167     3.2852    -1.7197	H	1	noname	0.2110
35	H13    -3.9594    -2.1444     1.1086	H	1	noname	0.0623
36	H14    -0.3487     5.4250     1.8744	H	1	noname	0.2110
37	H15    -2.7760    -4.2250     1.4910	H	1	noname	0.0650
38	H16    -0.8397    -5.3083     1.7656	H	1	noname	0.2182
@<TRIPOS>BOND
1	5	1	1
2	1	34	1
3	9	2	1
4	2	36	1
5	3	19	1
6	3	38	1
7	4	5	1
8	4	7	1
9	4	10	2
10	5	9	1
11	5	23	1
12	6	8	2
13	6	10	1
14	6	11	1
15	7	12	2
16	7	15	1
17	8	12	1
18	8	13	1
19	9	16	1
20	9	24	1
21	10	25	1
22	11	14	2
23	11	18	1
24	12	26	1
25	13	17	2
26	13	20	1
27	14	17	1
28	14	19	1
29	15	16	2
30	15	27	1
31	16	28	1
32	17	29	1
33	18	21	2
34	18	30	1
35	19	22	2
36	20	31	1
37	20	32	1
38	20	33	1
39	21	22	1
40	21	35	1
41	22	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1