@<TRIPOS>MOLECULE
71587782
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.0729     0.6515    -2.7691	O.3	1	noname	-0.2588
2	O2     3.2167    -1.1859    -0.1763	O.2	1	noname	-0.2911
3	O3     1.1266    -3.3432    -0.1095	O.3	1	noname	-0.2756
4	O4     2.8566     5.2728    -4.1572	O.3	1	noname	-0.2672
5	O5    -1.6441    -3.1184    -3.9532	O.3	1	noname	-0.2811
6	O6     5.1473     5.3747    -2.6573	O.3	1	noname	-0.2760
7	C1     1.2687     1.4971    -1.5762	C.3	1	noname	0.0966
8	C2     1.6423     0.7373    -0.2512	C.3	1	noname	0.0421
9	C3     2.2818     2.5099    -1.8586	C.2	1	noname	-0.0453
10	C4     1.2412    -1.4406    -1.5230	C.2	1	noname	0.0183
11	C5     2.1490    -0.7052    -0.6138	C.2	1	noname	0.1149
12	C6     0.7346    -0.7039    -2.6205	C.2	1	noname	0.0533
13	C7     2.0841     3.4224    -2.8883	C.2	1	noname	-0.0104
14	C8     3.4438     2.5616    -1.0977	C.2	1	noname	-0.0513
15	C9     0.6434    -2.6407    -1.1562	C.2	1	noname	0.0519
16	C10    -0.1460    -1.3038    -3.5132	C.2	1	noname	-0.0052
17	C11     3.0486     4.3866    -3.1571	C.2	1	noname	0.0269
18	C12    -0.4518    -3.1174    -1.8670	C.2	1	noname	-0.0063
19	C13    -0.7606    -2.5203    -3.1259	C.2	1	noname	0.0315
20	C14     4.4083     3.5257    -1.3665	C.2	1	noname	-0.0205
21	C15     4.2107     4.4383    -2.3962	C.2	1	noname	0.0243
22	C16     3.3875     4.7464    -5.3645	C.3	1	noname	0.0424
23	H1     0.3367     2.0200    -1.3616	H	1	noname	0.0665
24	H2     0.7611     0.6633     0.3860	H	1	noname	0.0381
25	H3     2.3673     1.2740     0.3607	H	1	noname	0.0381
26	H4     1.2314     3.3845    -3.4467	H	1	noname	0.0654
27	H5     3.5889     1.8919    -0.3420	H	1	noname	0.0627
28	H6    -0.3437    -0.8809    -4.4200	H	1	noname	0.0677
29	H7    -1.0224    -3.8775    -1.4969	H	1	noname	0.0677
30	H8     5.2610     3.5637    -0.8081	H	1	noname	0.0651
31	H9     0.5938    -4.1567     0.0117	H	1	noname	0.2182
32	H10     5.8958     5.2709    -2.0333	H	1	noname	0.2183
33	H11     3.2325     5.4620    -6.1720	H	1	noname	0.0535
34	H12     2.8826     3.8111    -5.6060	H	1	noname	0.0535
35	H13     4.4548     4.5622    -5.2422	H	1	noname	0.0535
36	H14    -1.9736    -3.9428    -3.5383	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	7	1
2	1	12	1
3	2	11	2
4	3	15	1
5	3	31	1
6	4	17	1
7	4	22	1
8	5	19	1
9	5	36	1
10	6	21	1
11	6	32	1
12	7	8	1
13	7	9	1
14	7	23	1
15	8	11	1
16	8	24	1
17	8	25	1
18	9	13	2
19	9	14	1
20	10	11	1
21	10	12	1
22	10	15	2
23	12	16	2
24	13	17	1
25	13	26	1
26	14	20	2
27	14	27	1
28	15	18	1
29	16	19	1
30	16	28	1
31	17	21	2
32	18	19	2
33	18	29	1
34	20	21	1
35	20	30	1
36	22	33	1
37	22	34	1
38	22	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1