@<TRIPOS>MOLECULE
92529307
36 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.9808     1.5919    -3.3159	O.3	1	noname	-0.1969
2	O2    -0.5341    -1.2005    -1.2125	O.3	1	noname	-0.2818
3	O3    -1.9704     0.6005    -5.2790	O.2	1	noname	-0.2554
4	O4     3.8571     2.8659    -4.2860	O.2	1	noname	-0.3011
5	C1    -0.1349     0.8995    -2.3916	C.3	1	noname	0.1221
6	C2     1.2477     0.7008    -3.0159	C.3	1	noname	-0.0100
7	C3    -0.7621    -0.3687    -2.2117	C.2	1	noname	0.0243
8	C4     0.0561     1.6593    -1.0773	C.3	1	noname	-0.0289
9	C5     1.8596     2.0640    -3.3446	C.3	1	noname	0.0133
10	C6    -1.6104    -0.5788    -3.2082	C.2	1	noname	0.1049
11	C7    -1.5743     0.5450    -4.0947	C.2	1	noname	0.1155
12	C8    -2.4292    -1.7397    -3.3715	C.3	1	noname	-0.0314
13	C9     3.1790     1.8743    -3.9404	C.2	1	noname	0.0937
14	C10     3.6702     0.6188    -4.1194	C.2	1	noname	0.0225
15	C11     4.9823     0.4059    -4.0776	C.2	1	noname	-0.0396
16	C12     5.4627    -0.8220    -4.2527	C.2	1	noname	-0.0673
17	C13     6.7748    -1.0349    -4.2108	C.2	1	noname	-0.0795
18	C14     7.2913    -2.3551    -4.3991	C.3	1	noname	-0.0467
19	H1     1.1527     0.1151    -3.9303	H	1	noname	0.0305
20	H2     1.8918     0.1736    -2.3121	H	1	noname	0.0305
21	H3     0.7063     1.0855    -0.4171	H	1	noname	0.0264
22	H4    -0.9119     1.8045    -0.5977	H	1	noname	0.0264
23	H5     0.5098     2.6292    -1.2810	H	1	noname	0.0264
24	H6     1.2155     2.5912    -4.0484	H	1	noname	0.0351
25	H7     1.9547     2.6496    -2.4302	H	1	noname	0.0351
26	H8    -3.4789    -1.4462    -3.3767	H	1	noname	0.0282
27	H9    -2.1837    -2.2278    -4.3147	H	1	noname	0.0282
28	H10    -2.2491    -2.4302    -2.5475	H	1	noname	0.0282
29	H11     0.3892    -1.0930    -0.9021	H	1	noname	0.2178
30	H12     3.0510    -0.1366    -4.2809	H	1	noname	0.0659
31	H13     5.6015     1.1613    -3.9162	H	1	noname	0.0623
32	H14     4.8435    -1.5774    -4.4141	H	1	noname	0.0619
33	H15     7.3940    -0.2795    -4.0494	H	1	noname	0.0572
34	H16     7.9522    -2.3665    -5.2657	H	1	noname	0.0273
35	H17     6.4661    -3.0482    -4.5623	H	1	noname	0.0273
36	H18     7.8492    -2.6567    -3.5126	H	1	noname	0.0273
@<TRIPOS>BOND
1	1	5	1
2	1	11	1
3	2	7	1
4	2	29	1
5	3	11	2
6	4	13	2
7	5	6	1
8	5	7	1
9	5	8	1
10	6	9	1
11	6	19	1
12	6	20	1
13	7	10	2
14	8	21	1
15	8	22	1
16	8	23	1
17	9	13	1
18	9	24	1
19	9	25	1
20	10	11	1
21	10	12	1
22	12	26	1
23	12	27	1
24	12	28	1
25	13	14	1
26	14	15	2
27	14	30	1
28	15	16	1
29	15	31	1
30	16	17	2
31	16	32	1
32	17	18	1
33	17	33	1
34	18	34	1
35	18	35	1
36	18	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1