@<TRIPOS>MOLECULE
57823850
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.7395     2.7418     1.4143	O.3	1	noname	-0.3308
2	O2     0.3361     0.0010    -0.2547	O.3	1	noname	-0.3056
3	O3    -0.0311     2.3212    -0.3706	O.3	1	noname	-0.3058
4	O4     2.3563     1.1081    -0.6583	O.3	1	noname	-0.3610
5	O5     2.1833     3.3257     4.0658	O.2	1	noname	-0.2888
6	O6    -2.7646     1.7919    -0.8988	O.2	1	noname	-0.2786
7	C1     1.3951     0.7517     0.3606	C.3	1	noname	0.2270
8	C2     0.6249     1.9760     0.8712	C.3	1	noname	0.2245
9	C3     2.1843     0.3909     1.6284	C.3	1	noname	0.0431
10	C4     2.5416     1.8278     2.2292	C.3	1	noname	0.1321
11	C5    -0.4804     1.0335    -0.9043	C.3	1	noname	0.2309
12	C6    -0.4803     1.8825     1.9933	C.3	1	noname	-0.0047
13	C7     4.0361     2.1991     2.0142	C.3	1	noname	-0.0283
14	C8     2.2437     2.1238     3.6837	C.2	1	noname	0.1535
15	C9    -0.2690     1.0086    -2.4335	C.3	1	noname	-0.0025
16	C10    -1.9582     0.8459    -0.7024	C.2	1	noname	0.1732
17	C11     2.0048     1.1335     4.7610	C.3	1	noname	-0.0027
18	C12    -2.5616    -0.4067    -0.1849	C.3	1	noname	0.0000
19	H1     1.5372    -0.2061     2.2688	H	1	noname	0.0358
20	H2     3.0490    -0.2285     1.3517	H	1	noname	0.0358
21	H3    -1.4006     1.3820     1.7047	H	1	noname	0.0287
22	H4    -0.7667     2.8982     2.2551	H	1	noname	0.0287
23	H5    -0.1488     1.4034     2.8924	H	1	noname	0.0287
24	H6     4.6644     1.5358     2.6086	H	1	noname	0.0264
25	H7     4.2892     2.0909     0.9595	H	1	noname	0.0264
26	H8     4.2023     3.2310     2.3237	H	1	noname	0.0264
27	H9     2.7171     0.2934    -1.0664	H	1	noname	0.2138
28	H10    -0.8824     1.7809    -2.8977	H	1	noname	0.0290
29	H11    -0.5566     0.0325    -2.8242	H	1	noname	0.0290
30	H12     0.7812     1.1949    -2.6582	H	1	noname	0.0290
31	H13     1.0109     1.2868     5.1815	H	1	noname	0.0311
32	H14     2.0742     0.1262     4.3504	H	1	noname	0.0311
33	H15     2.7536     1.2596     5.5430	H	1	noname	0.0311
34	H16    -2.3744    -1.2179    -0.8884	H	1	noname	0.0312
35	H17    -3.6364    -0.2700    -0.0656	H	1	noname	0.0312
36	H18    -2.1173    -0.6525     0.7797	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