@<TRIPOS>MOLECULE
119025651
38 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.0395    -2.7244    -1.4547	O.3	1	noname	-0.3874
2	O2     0.6039    -0.5570     2.0708	O.3	1	noname	-0.3761
3	O3     3.0148    -0.6615    -0.6432	O.3	1	noname	-0.3878
4	O4     1.7533    -4.6381     0.3902	O.3	1	noname	-0.3870
5	O5     3.3751    -4.2845     2.5040	O.3	1	noname	-0.3827
6	O6     0.1403    -0.0460     5.6709	O.3	1	noname	-0.3765
7	O7     3.7342    -1.1405     2.8402	O.2	1	noname	-0.2944
8	O8    -1.8610     0.0859     8.7390	O.3	1	noname	-0.3938
9	C1     1.2894    -2.3415    -0.1169	C.3	1	noname	0.1110
10	C2     1.6777    -0.8290    -0.1673	C.3	1	noname	0.1059
11	C3     2.3289    -3.3425     0.4844	C.3	1	noname	0.1152
12	C4     1.5359    -0.0360     1.1312	C.3	1	noname	0.0754
13	C5     2.7821    -3.1114     1.9561	C.3	1	noname	0.1376
14	C6     0.7908     0.1033     3.3265	C.3	1	noname	0.0702
15	C7     3.7948    -2.0806     2.0615	C.2	1	noname	0.1451
16	C8    -0.1845    -0.4765     4.3481	C.3	1	noname	0.0702
17	C9    -1.0137    -0.1813     6.4958	C.3	1	noname	0.0699
18	C10    -0.6965     0.2297     7.9392	C.3	1	noname	0.0666
19	H1     0.3285    -2.4341     0.3909	H	1	noname	0.0657
20	H2     1.0350    -0.2928    -0.8964	H	1	noname	0.0653
21	H3     3.2109    -3.3673    -0.1522	H	1	noname	0.0660
22	H4     1.2790     0.9976     0.8995	H	1	noname	0.0594
23	H5     2.4977    -0.0266     1.6440	H	1	noname	0.0594
24	H6     1.9364    -2.8475     2.5850	H	1	noname	0.0708
25	H7     1.8476    -2.5840    -1.9911	H	1	noname	0.2106
26	H8     3.0896    -1.0362    -1.5457	H	1	noname	0.2106
27	H9     0.9150    -4.6608     0.8973	H	1	noname	0.2107
28	H10     0.6011     1.1701     3.2079	H	1	noname	0.0590
29	H11     1.8220     0.0194     3.6698	H	1	noname	0.0590
30	H12     4.6078    -2.1434     1.4487	H	1	noname	0.1071
31	H13    -1.1985    -0.1611     4.1020	H	1	noname	0.0590
32	H14    -0.1416    -1.5657     4.3440	H	1	noname	0.0590
33	H15     3.6500    -4.1104     3.4284	H	1	noname	0.2111
34	H16    -1.8144     0.4476     6.1065	H	1	noname	0.0590
35	H17    -1.4009    -1.1995     6.4581	H	1	noname	0.0590
36	H18    -0.3694     1.2693     7.9574	H	1	noname	0.0587
37	H19     0.0955    -0.4074     8.3327	H	1	noname	0.0587
38	H20    -1.6584     0.3485     9.6612	H	1	noname	0.2101
@<TRIPOS>BOND
1	9	1	1
2	1	25	1
3	2	12	1
4	2	14	1
5	10	3	1
6	3	26	1
7	11	4	1
8	4	27	1
9	13	5	1
10	5	33	1
11	6	16	1
12	6	17	1
13	7	15	2
14	8	18	1
15	8	38	1
16	9	10	1
17	9	11	1
18	9	19	1
19	10	12	1
20	10	20	1
21	11	13	1
22	11	21	1
23	12	22	1
24	12	23	1
25	13	15	1
26	13	24	1
27	14	16	1
28	14	28	1
29	14	29	1
30	15	30	1
31	16	31	1
32	16	32	1
33	17	18	1
34	17	34	1
35	17	35	1
36	18	36	1
37	18	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1