@<TRIPOS>MOLECULE
57823860
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.7496    -0.1519    -2.0198	O.3	1	noname	-0.3308
2	O2     2.4960    -1.0730     1.3341	O.3	1	noname	-0.3056
3	O3     3.8549     0.4024     0.1705	O.3	1	noname	-0.3058
4	O4     1.1203     0.4226     0.1063	O.3	1	noname	-0.3610
5	O5     3.0334    -1.5238    -4.3291	O.2	1	noname	-0.2888
6	O6     1.8926     0.9795     2.9834	O.2	1	noname	-0.2786
7	C1     1.9523    -0.7690     0.0196	C.3	1	noname	0.2270
8	C2     3.2573    -0.5507    -0.7290	C.3	1	noname	0.2245
9	C3     1.2418    -1.7036    -0.9977	C.3	1	noname	0.0431
10	C4     1.7139    -1.1211    -2.4006	C.3	1	noname	0.1321
11	C5     3.5131    -0.0356     1.5213	C.3	1	noname	0.2309
12	C6     4.2649    -1.7484    -0.9045	C.3	1	noname	-0.0047
13	C7     0.5559    -0.3926    -3.1687	C.3	1	noname	-0.0283
14	C8     2.3223    -2.0323    -3.4372	C.2	1	noname	0.1535
15	C9     4.7509    -0.6045     2.2912	C.3	1	noname	-0.0025
16	C10     2.9997     1.0824     2.3833	C.2	1	noname	0.1732
17	C11     2.1147    -3.4827    -3.5574	C.3	1	noname	-0.0027
18	C12     3.7301     2.3218     2.7078	C.3	1	noname	0.0000
19	H1     0.1567    -1.6197    -0.8881	H	1	noname	0.0358
20	H2     1.5176    -2.7464    -0.8218	H	1	noname	0.0358
21	H3     4.4999    -2.2612     0.0236	H	1	noname	0.0287
22	H4     3.9177    -2.5349    -1.5607	H	1	noname	0.0287
23	H5     5.1688    -1.3574    -1.3470	H	1	noname	0.0287
24	H6    -0.2191    -1.0894    -3.5204	H	1	noname	0.0264
25	H7     0.0824     0.3439    -2.5210	H	1	noname	0.0264
26	H8     0.9467     0.1328    -4.0487	H	1	noname	0.0264
27	H9     0.2787     0.1535     0.5535	H	1	noname	0.2138
28	H10     5.5990     0.0809     2.2816	H	1	noname	0.0290
29	H11     5.1310    -1.5519     1.9293	H	1	noname	0.0290
30	H12     4.4406    -0.7829     3.3208	H	1	noname	0.0290
31	H13     1.0493    -3.6901    -3.6577	H	1	noname	0.0311
32	H14     2.6414    -3.8535    -4.4367	H	1	noname	0.0311
33	H15     2.4994    -3.9799    -2.6669	H	1	noname	0.0311
34	H16     3.8859     2.9007     1.7975	H	1	noname	0.0312
35	H17     3.1493     2.9106     3.4178	H	1	noname	0.0312
36	H18     4.6950     2.0703     3.1480	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