@<TRIPOS>MOLECULE
119057567
34 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.0954     5.0483     1.0842	O.3	1	noname	-0.2168
2	O2     1.6220     5.8602    -0.9495	O.2	1	noname	-0.2532
3	C1     2.5791     3.7916    -0.3802	C.3	1	noname	0.0696
4	C2     1.7661     2.5802    -0.3244	C.2	1	noname	-0.0479
5	C3     3.1907     3.9315    -1.7757	C.3	1	noname	-0.0398
6	C4     2.3409     1.3746     0.0608	C.2	1	noname	-0.0491
7	C5     0.4173     2.6324    -0.6563	C.2	1	noname	-0.0491
8	C6     0.2182     0.2735    -0.2180	C.2	1	noname	-0.0401
9	C7     4.0687     2.7140    -2.0720	C.3	1	noname	-0.0643
10	C8     1.5669     0.2213     0.1140	C.2	1	noname	-0.0452
11	C9    -0.3566     1.4790    -0.6031	C.2	1	noname	-0.0452
12	C10     1.7413     4.9534    -0.0975	C.2	1	noname	0.1387
13	C11    -0.5558    -0.8799    -0.1648	C.2	1	noname	-0.0409
14	C12    -1.9046    -0.8277    -0.4967	C.2	1	noname	-0.0477
15	C13     0.0190    -2.0854     0.2204	C.2	1	noname	-0.0477
16	C14    -2.6786    -1.9810    -0.4435	C.2	1	noname	-0.0576
17	C15    -0.7550    -3.2388     0.2736	C.2	1	noname	-0.0576
18	C16    -2.1038    -3.1866    -0.0584	C.2	1	noname	-0.0607
19	H1     3.3757     3.7291     0.3611	H	1	noname	0.0459
20	H2     2.3941     3.9940    -2.5170	H	1	noname	0.0275
21	H3     3.7976     4.8359    -1.8174	H	1	noname	0.0275
22	H4     3.3306     1.3363     0.3044	H	1	noname	0.0625
23	H5    -0.0045     3.5170    -0.9390	H	1	noname	0.0625
24	H6     4.5044     2.8136    -3.0661	H	1	noname	0.0231
25	H7     3.4618     1.8096    -2.0303	H	1	noname	0.0231
26	H8     4.8653     2.6515    -1.3307	H	1	noname	0.0231
27	H9     1.9887    -0.6634     0.3966	H	1	noname	0.0629
28	H10    -1.3464     1.5173    -0.8467	H	1	noname	0.0629
29	H11    -2.3264     0.0570    -0.7794	H	1	noname	0.0629
30	H12     1.0087    -2.1237     0.4640	H	1	noname	0.0629
31	H13    -3.6683    -1.9427    -0.6871	H	1	noname	0.0622
32	H14    -0.3332    -4.1234     0.5562	H	1	noname	0.0622
33	H15    -2.6717    -4.0329    -0.0193	H	1	noname	0.0622
34	H16     0.2423     5.5275     1.1393	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	12	1
2	1	34	1
3	2	12	2
4	3	4	1
5	3	5	1
6	3	12	1
7	3	19	1
8	4	6	2
9	4	7	1
10	5	9	1
11	5	20	1
12	5	21	1
13	6	10	1
14	6	22	1
15	7	11	2
16	7	23	1
17	8	10	2
18	8	11	1
19	8	13	1
20	9	24	1
21	9	25	1
22	9	26	1
23	10	27	1
24	11	28	1
25	13	14	2
26	13	15	1
27	14	16	1
28	14	29	1
29	15	17	2
30	15	30	1
31	16	18	2
32	16	31	1
33	17	18	1
34	17	32	1
35	18	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1