@<TRIPOS>MOLECULE
57823847
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.3297     0.5839     2.0085	O.3	1	noname	-0.3308
2	O2     0.5985    -0.5384    -0.0012	O.3	1	noname	-0.3056
3	O3     1.1738     1.7382     0.2545	O.3	1	noname	-0.3058
4	O4    -1.2413     0.3481     1.2351	O.3	1	noname	-0.3610
5	O5     3.2441     0.2346     4.7113	O.2	1	noname	-0.2888
6	O6    -1.1692     1.2409    -1.3304	O.2	1	noname	-0.2786
7	C1     0.1554    -0.0318     1.2504	C.3	1	noname	0.2270
8	C2     1.0848     1.1521     1.5527	C.3	1	noname	0.2245
9	C3     0.5105    -0.9633     2.4047	C.3	1	noname	0.0431
10	C4     1.9664    -0.5502     2.8511	C.3	1	noname	0.1321
11	C5     1.0339     0.6449    -0.6888	C.3	1	noname	0.2309
12	C6     0.5484     2.1421     2.6229	C.3	1	noname	-0.0047
13	C7     2.9427    -1.7080     2.5008	C.3	1	noname	-0.0283
14	C8     2.1200    -0.1960     4.3288	C.2	1	noname	0.1535
15	C9     2.4274     0.3470    -1.2817	C.3	1	noname	-0.0025
16	C10    -0.0118     0.9849    -1.7202	C.2	1	noname	0.1732
17	C11     1.1130    -0.2723     5.4198	C.3	1	noname	-0.0027
18	C12     0.1461     1.0769    -3.1806	C.3	1	noname	0.0000
19	H1    -0.2444    -0.6759     3.1158	H	1	noname	0.0358
20	H2     0.3912    -2.0457     2.2378	H	1	noname	0.0358
21	H3    -0.4068     2.5685     2.3291	H	1	noname	0.0287
22	H4     0.3487     1.6351     3.5561	H	1	noname	0.0287
23	H5     1.2894     2.9136     2.8327	H	1	noname	0.0287
24	H6     2.7126    -2.5654     3.1425	H	1	noname	0.0264
25	H7     2.8136    -2.0145     1.4541	H	1	noname	0.0264
26	H8     3.9931    -1.4257     2.6458	H	1	noname	0.0264
27	H9    -1.7339    -0.4893     1.1232	H	1	noname	0.2138
28	H10     2.7578     1.2322    -1.8249	H	1	noname	0.0290
29	H11     2.3482    -0.4989    -1.9679	H	1	noname	0.0290
30	H12     3.1744     0.1108    -0.5183	H	1	noname	0.0290
31	H13     0.1466    -0.6771     5.1144	H	1	noname	0.0311
32	H14     0.9715     0.7177     5.8535	H	1	noname	0.0311
33	H15     1.5418    -0.8588     6.2323	H	1	noname	0.0311
34	H16     0.8968     1.8307    -3.4181	H	1	noname	0.0312
35	H17    -0.8056     1.3572    -3.6321	H	1	noname	0.0312
36	H18     0.4642     0.1111    -3.5733	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