@<TRIPOS>MOLECULE
57823862
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.1150     2.0596     2.1449	O.3	1	noname	-0.3308
2	O2     2.7298    -0.7928     4.1103	O.3	1	noname	-0.3056
3	O3     1.6307     1.2675     4.0466	O.3	1	noname	-0.3058
4	O4     4.3111     0.8961     4.2564	O.3	1	noname	-0.3610
5	O5     5.5828     3.1961     2.0594	O.2	1	noname	-0.2888
6	O6    -0.7759    -0.0327     4.8200	O.2	1	noname	-0.2786
7	C1     3.4515     0.1923     3.3455	C.3	1	noname	0.2270
8	C2     2.3117     1.0359     2.8031	C.3	1	noname	0.2245
9	C3     4.2540    -0.0184     2.0502	C.3	1	noname	0.0431
10	C4     4.1703     1.4093     1.3649	C.3	1	noname	0.1321
11	C5     1.6291    -0.0316     4.7350	C.3	1	noname	0.2309
12	C6     1.2702     0.4453     1.7722	C.3	1	noname	-0.0047
13	C7     3.7045     1.5357    -0.1224	C.3	1	noname	-0.0283
14	C8     5.4944     2.1310     1.4121	C.2	1	noname	0.1535
15	C9     1.9037     0.1967     6.2455	C.3	1	noname	-0.0025
16	C10     0.2743    -0.6907     4.6476	C.2	1	noname	0.1732
17	C11     6.7645     1.7024     0.7575	C.3	1	noname	-0.0027
18	C12     0.0748    -2.1020     4.2939	C.3	1	noname	0.0000
19	H1     3.7920    -0.8236     1.4807	H	1	noname	0.0358
20	H2     5.2764    -0.3219     2.3045	H	1	noname	0.0358
21	H3     0.6395    -0.3310     2.1363	H	1	noname	0.0287
22	H4     0.6082     1.2329     1.4417	H	1	noname	0.0287
23	H5     1.7259     0.0367     0.8713	H	1	noname	0.0287
24	H6     4.4434     1.0710    -0.7753	H	1	noname	0.0264
25	H7     2.7443     1.0351    -0.2463	H	1	noname	0.0264
26	H8     3.6013     2.5892    -0.3825	H	1	noname	0.0264
27	H9     4.9318     0.2634     4.6746	H	1	noname	0.2138
28	H10     1.0794     0.7594     6.6837	H	1	noname	0.0290
29	H11     1.9940    -0.7663     6.7481	H	1	noname	0.0290
30	H12     2.8307     0.7575     6.3656	H	1	noname	0.0290
31	H13     7.0916     2.4731     0.0596	H	1	noname	0.0311
32	H14     6.5984     0.7702     0.2177	H	1	noname	0.0311
33	H15     7.5315     1.5508     1.5170	H	1	noname	0.0311
34	H16     0.5287    -2.3010     3.3232	H	1	noname	0.0312
35	H17    -0.9927    -2.3173     4.2469	H	1	noname	0.0312
36	H18     0.5402    -2.7351     5.0493	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