@<TRIPOS>MOLECULE
57823849
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.5357    -2.0585     0.9751	O.3	1	noname	-0.3308
2	O2    -0.6050    -1.4649    -0.7279	O.3	1	noname	-0.3056
3	O3     1.0233     0.0740    -0.0023	O.3	1	noname	-0.3058
4	O4    -1.6593    -0.3782     1.1061	O.3	1	noname	-0.3610
5	O5     0.6799    -4.3034    -0.5206	O.2	1	noname	-0.2888
6	O6    -1.2628     1.3118    -1.0775	O.2	1	noname	-0.2786
7	C1    -0.6594    -1.3100     0.6890	C.3	1	noname	0.2270
8	C2     0.7344    -0.8713     1.0288	C.3	1	noname	0.2245
9	C3    -0.7137    -2.6268     1.4476	C.3	1	noname	0.0431
10	C4     0.7334    -3.1187     1.5074	C.3	1	noname	0.1321
11	C5     0.3077    -0.4344    -1.1365	C.3	1	noname	0.2309
12	C6     0.8087    -0.3076     2.4493	C.3	1	noname	-0.0047
13	C7     1.1257    -3.3732     2.9642	C.3	1	noname	-0.0283
14	C8     0.9478    -4.3163     0.7003	C.2	1	noname	0.1535
15	C9     1.2999    -1.0050    -2.1517	C.3	1	noname	-0.0025
16	C10    -0.4079     0.6857    -1.7405	C.2	1	noname	0.1732
17	C11     1.4751    -5.5290     1.3192	C.3	1	noname	-0.0027
18	C12    -0.1250     1.0745    -3.1191	C.3	1	noname	0.0000
19	H1    -1.0790    -2.4486     2.4590	H	1	noname	0.0358
20	H2    -1.3832    -3.3505     0.9828	H	1	noname	0.0358
21	H3     0.2050     0.5978     2.5129	H	1	noname	0.0287
22	H4     1.8446    -0.0714     2.6927	H	1	noname	0.0287
23	H5     0.4294    -1.0475     3.1541	H	1	noname	0.0287
24	H6     0.5151    -4.1801     3.3693	H	1	noname	0.0264
25	H7     0.9638    -2.4669     3.5477	H	1	noname	0.0264
26	H8     2.1778    -3.6538     3.0134	H	1	noname	0.0264
27	H9    -2.5393    -0.6867     0.8048	H	1	noname	0.2138
28	H10     1.9927    -0.2227    -2.4618	H	1	noname	0.0290
29	H11     0.7572    -1.3754    -3.0214	H	1	noname	0.0290
30	H12     1.8567    -1.8233    -1.6952	H	1	noname	0.0290
31	H13     0.7572    -6.3402     1.1985	H	1	noname	0.0311
32	H14     1.6464    -5.3502     2.3807	H	1	noname	0.0311
33	H15     2.4155    -5.8018     0.8403	H	1	noname	0.0311
34	H16     0.2283     2.1054    -3.1406	H	1	noname	0.0312
35	H17    -1.0341     0.9895    -3.7145	H	1	noname	0.0312
36	H18     0.6420     0.4189    -3.5314	H	1	noname	0.0312
@<TRIPOS>BOND
1	1	8	1
2	1	10	1
3	2	7	1
4	2	11	1
5	3	8	1
6	3	11	1
7	7	4	1
8	4	27	1
9	5	14	2
10	6	16	2
11	7	8	1
12	7	9	1
13	8	12	1
14	9	10	1
15	9	19	1
16	9	20	1
17	10	13	1
18	10	14	1
19	11	15	1
20	11	16	1
21	12	21	1
22	12	22	1
23	12	23	1
24	13	24	1
25	13	25	1
26	13	26	1
27	14	17	1
28	15	28	1
29	15	29	1
30	15	30	1
31	16	18	1
32	17	31	1
33	17	32	1
34	17	33	1
35	18	34	1
36	18	35	1
37	18	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1