@<TRIPOS>MOLECULE
57823856
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.1653     2.7985     1.0056	O.3	1	noname	-0.3308
2	O2     0.4116     0.0278    -0.2319	O.3	1	noname	-0.3056
3	O3     0.0495     2.3346    -0.3571	O.3	1	noname	-0.3058
4	O4     2.3336     1.0659    -1.0370	O.3	1	noname	-0.3610
5	O5     4.7911     3.0212     0.3287	O.2	1	noname	-0.2888
6	O6    -2.7142     1.8623    -0.3481	O.2	1	noname	-0.2786
7	C1     1.5759     0.7760     0.1574	C.3	1	noname	0.2270
8	C2     0.9455     2.0364     0.7381	C.3	1	noname	0.2245
9	C3     2.6048     0.4628     1.2656	C.3	1	noname	0.0431
10	C4     3.1531     1.9060     1.6438	C.3	1	noname	0.1321
11	C5    -0.5074     1.0426    -0.7476	C.3	1	noname	0.2309
12	C6     0.0745     1.9747     2.0670	C.3	1	noname	-0.0047
13	C7     3.1576     2.3153     3.1477	C.3	1	noname	-0.0283
14	C8     4.5666     2.1218     1.1598	C.2	1	noname	0.1535
15	C9    -0.5712     0.9825    -2.2959	C.3	1	noname	-0.0025
16	C10    -1.9211     0.9005    -0.2642	C.2	1	noname	0.1732
17	C11     5.7712     1.3703     1.6004	C.3	1	noname	-0.0027
18	C12    -2.4563    -0.3154     0.3686	C.3	1	noname	0.0000
19	H1     2.1002    -0.0558     2.0807	H	1	noname	0.0358
20	H2     3.3701    -0.2026     0.8629	H	1	noname	0.0358
21	H3    -0.8501     1.4091     2.0045	H	1	noname	0.0287
22	H4    -0.2155     2.9722     2.3448	H	1	noname	0.0287
23	H5     0.5894     1.5382     2.9235	H	1	noname	0.0287
24	H6     3.8700     1.6946     3.6911	H	1	noname	0.0264
25	H7     2.1606     2.1749     3.5654	H	1	noname	0.0264
26	H8     3.4452     3.3628     3.2383	H	1	noname	0.0264
27	H9     2.5973     0.2264    -1.4683	H	1	noname	0.2138
28	H10    -1.2596     1.7445    -2.6611	H	1	noname	0.0290
29	H11    -0.9205    -0.0020    -2.6071	H	1	noname	0.0290
30	H12     0.4219     1.1625    -2.7077	H	1	noname	0.0290
31	H13     5.6518     0.3154     1.3532	H	1	noname	0.0311
32	H14     5.8934     1.4793     2.6780	H	1	noname	0.0311
33	H15     6.6514     1.7651     1.0930	H	1	noname	0.0311
34	H16    -2.4086    -1.1439    -0.3381	H	1	noname	0.0312
35	H17    -3.4927    -0.1467     0.6612	H	1	noname	0.0312
36	H18    -1.8641    -0.5563     1.2515	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