@<TRIPOS>MOLECULE
119058004
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.3797    -0.4987    -1.8888	O.3	1	noname	-0.3882
2	O2     5.8116     3.9183    -4.0439	O.3	1	noname	-0.3933
3	O3     1.6765    -0.3941     1.6092	O.3	1	noname	-0.3683
4	C1     4.1743     1.8479    -1.3821	C.3	1	noname	-0.0202
5	C2     4.6588     2.2173    -2.7855	C.3	1	noname	-0.0245
6	C3     3.4712     0.4898    -1.4263	C.3	1	noname	0.0812
7	C4     5.3619     3.5755    -2.7413	C.3	1	noname	0.0514
8	C5     3.0088     0.1373    -0.0870	C.2	1	noname	0.0166
9	C6     4.3831     4.6405    -2.2430	C.3	1	noname	-0.0390
10	C7     3.8019    -0.0248     1.0402	C.2	1	noname	0.0103
11	C8     1.6973    -0.0970     0.2931	C.2	1	noname	0.0480
12	C9     2.9409    -0.3547     2.0759	C.2	1	noname	0.0395
13	H1     3.4769     2.6067    -1.0270	H	1	noname	0.0297
14	H2     5.0274     1.7936    -0.7058	H	1	noname	0.0297
15	H3     3.8057     2.2717    -3.4618	H	1	noname	0.0294
16	H4     5.3562     1.4585    -3.1406	H	1	noname	0.0294
17	H5     2.6181     0.5441    -2.1026	H	1	noname	0.0652
18	H6     6.2150     3.5211    -2.0650	H	1	noname	0.0597
19	H7     4.0379     4.3774    -1.2431	H	1	noname	0.0256
20	H8     3.5300     4.6949    -2.9193	H	1	noname	0.0256
21	H9     4.8840     5.6081    -2.2115	H	1	noname	0.0256
22	H10     4.8152     0.0780     1.0958	H	1	noname	0.0648
23	H11     0.8832    -0.0525    -0.3198	H	1	noname	0.0904
24	H12     3.9293    -1.3686    -1.9171	H	1	noname	0.2109
25	H13     6.4386     3.2361    -4.3631	H	1	noname	0.2104
26	H14     3.2202    -0.5387     3.0395	H	1	noname	0.0900
@<TRIPOS>BOND
1	6	1	1
2	1	24	1
3	7	2	1
4	2	25	1
5	3	11	1
6	3	12	1
7	4	5	1
8	4	6	1
9	4	13	1
10	4	14	1
11	5	7	1
12	5	15	1
13	5	16	1
14	6	8	1
15	6	17	1
16	7	9	1
17	7	18	1
18	8	10	1
19	8	11	2
20	9	19	1
21	9	20	1
22	9	21	1
23	10	12	2
24	10	22	1
25	11	23	1
26	12	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1