@<TRIPOS>MOLECULE
71587968
37 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.5124     0.0259    -0.2366	O.3	1	noname	-0.2042
2	O2     1.7164    -1.7744     2.9503	O.3	1	noname	-0.3950
3	O3     1.6348    -3.2507    -1.7853	O.3	1	noname	-0.3950
4	O4     3.3955    -0.9951     0.0781	O.2	1	noname	-0.2505
5	C1     1.5555    -2.4696     0.5742	C.3	1	noname	0.0994
6	C2    -2.1552     1.0986    -0.4910	C.3	1	noname	-0.0511
7	C3    -0.6290     1.4072    -0.6160	C.3	1	noname	-0.0289
8	C4     2.0281    -3.5539    -0.4539	C.3	1	noname	0.0602
9	C5     2.0756    -2.7841     2.0104	C.3	1	noname	0.0602
10	C6    -2.8591     2.3906    -0.8889	C.3	1	noname	-0.0535
11	C7    -0.0228    -2.6289     0.6767	C.3	1	noname	-0.0457
12	C8     2.1467    -1.1234     0.1287	C.2	1	noname	0.1453
13	C9     0.0943     0.0837    -0.3958	C.3	1	noname	0.0564
14	C10    -4.4022     2.2997    -0.8431	C.3	1	noname	-0.0561
15	C11    -5.1089     3.6101    -1.2476	C.3	1	noname	-0.0654
16	H1    -2.4727     0.2910    -1.1491	H	1	noname	0.0267
17	H2    -2.4237     0.7994     0.5259	H	1	noname	0.0267
18	H3    -0.3647     1.7598    -1.6044	H	1	noname	0.0290
19	H4    -0.3010     2.1397     0.1173	H	1	noname	0.0290
20	H5     1.6588    -3.7278     2.3769	H	1	noname	0.0575
21	H6     3.1623    -2.8915     2.0456	H	1	noname	0.0575
22	H7     1.6015    -4.5284    -0.2063	H	1	noname	0.0575
23	H8     3.1114    -3.6746    -0.4565	H	1	noname	0.0575
24	H9    -2.5480     2.6391    -1.9083	H	1	noname	0.0266
25	H10    -2.5197     3.1783    -0.2118	H	1	noname	0.0266
26	H11    -0.4508    -1.8609     1.3028	H	1	noname	0.0243
27	H12    -0.3411    -3.6026     1.0991	H	1	noname	0.0243
28	H13    -0.5051    -2.5496    -0.3106	H	1	noname	0.0243
29	H14    -0.1523    -0.5562    -1.2339	H	1	noname	0.0573
30	H15    -0.3174    -0.3825     0.4994	H	1	noname	0.0573
31	H16    -4.7380     1.4906    -1.4917	H	1	noname	0.0264
32	H17    -4.6960     2.0561     0.1779	H	1	noname	0.0264
33	H18    -6.1888     3.4726    -1.1923	H	1	noname	0.0230
34	H19    -4.8281     3.8746    -2.2671	H	1	noname	0.0230
35	H20    -4.8092     4.4090    -0.5693	H	1	noname	0.0230
36	H21     2.0630    -2.0137     3.8352	H	1	noname	0.2100
37	H22     1.9523    -3.9551    -2.3881	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	12	1
2	1	13	1
3	2	9	1
4	2	36	1
5	3	8	1
6	3	37	1
7	4	12	2
8	5	8	1
9	5	9	1
10	5	11	1
11	5	12	1
12	6	7	1
13	6	10	1
14	6	16	1
15	6	17	1
16	7	13	1
17	7	18	1
18	7	19	1
19	8	22	1
20	8	23	1
21	9	20	1
22	9	21	1
23	10	14	1
24	10	24	1
25	10	25	1
26	11	26	1
27	11	27	1
28	11	28	1
29	13	29	1
30	13	30	1
31	14	15	1
32	14	31	1
33	14	32	1
34	15	33	1
35	15	34	1
36	15	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1