@<TRIPOS>MOLECULE
67772502
38 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.1500     1.8498    -1.7536	O.3	1	noname	-0.2575
2	O2     1.0831     0.0618    -3.5291	O.3	1	noname	-0.2651
3	O3     1.4692     3.4756    -0.1349	O.3	1	noname	-0.2651
4	O4     4.7918     2.1848     1.0582	O.2	1	noname	-0.2931
5	O5     8.1517     1.6479    -2.1137	O.2	1	noname	-0.2931
6	C1     4.0750     1.4763    -1.7950	C.2	1	noname	-0.0377
7	C2     1.2187     1.7344    -1.8003	C.2	1	noname	0.0507
8	C3     1.8533     0.8182    -2.6747	C.2	1	noname	0.0364
9	C4     2.0196     2.6177    -1.0444	C.2	1	noname	0.0364
10	C5     3.2616     0.6676    -2.6329	C.2	1	noname	-0.0214
11	C6     3.4204     2.5548    -1.1689	C.2	1	noname	-0.0214
12	C7     5.4536     1.3057    -1.6875	C.2	1	noname	0.0066
13	C8     6.3179     1.4575    -0.6342	C.2	1	noname	0.0873
14	C9     7.7223     1.3372    -0.9702	C.2	1	noname	0.1234
15	C10     5.8776     1.6941     0.7115	C.2	1	noname	0.1234
16	C11     8.8270     0.8155    -0.1282	C.3	1	noname	-0.0008
17	C12     6.5679     1.3769     1.9693	C.3	1	noname	-0.0008
18	C13    -0.7594     1.0047    -0.7726	C.3	1	noname	0.0425
19	C14     0.8881     0.7191    -4.7885	C.3	1	noname	0.0424
20	C15     1.2201     4.7714    -0.6799	C.3	1	noname	0.0424
21	H1     3.6766    -0.0465    -3.2299	H	1	noname	0.0657
22	H2     3.9696     3.3194    -0.7751	H	1	noname	0.0657
23	H3     5.8819     1.0379    -2.5401	H	1	noname	0.0637
24	H4     6.9198     0.3596     1.9265	H	1	noname	0.0313
25	H5     7.4159     2.0495     2.0981	H	1	noname	0.0313
26	H6     5.9031     1.5645     2.8125	H	1	noname	0.0313
27	H7     9.5963     1.5806    -0.0232	H	1	noname	0.0313
28	H8     8.4402     0.5516     0.8561	H	1	noname	0.0313
29	H9     9.2562    -0.0689    -0.5990	H	1	noname	0.0313
30	H10    -1.8398     1.1473    -0.7909	H	1	noname	0.0535
31	H11    -0.5265    -0.0366    -0.9950	H	1	noname	0.0535
32	H12    -0.3759     1.2598     0.2153	H	1	noname	0.0535
33	H13     0.2756     0.0909    -5.4353	H	1	noname	0.0535
34	H14     0.3857     1.6728    -4.6267	H	1	noname	0.0535
35	H15     1.8548     0.8933    -5.2610	H	1	noname	0.0535
36	H16     0.7829     5.4103     0.0874	H	1	noname	0.0535
37	H17     0.5293     4.6861    -1.5187	H	1	noname	0.0535
38	H18     2.1579     5.2070    -1.0245	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	7	1
2	1	18	1
3	2	8	1
4	2	19	1
5	3	9	1
6	3	20	1
7	4	15	2
8	5	14	2
9	6	10	2
10	6	11	1
11	6	12	1
12	7	8	2
13	7	9	1
14	8	10	1
15	9	11	2
16	10	21	1
17	11	22	1
18	12	13	2
19	12	23	1
20	13	14	1
21	13	15	1
22	14	16	1
23	15	17	1
24	16	27	1
25	16	28	1
26	16	29	1
27	17	24	1
28	17	25	1
29	17	26	1
30	18	30	1
31	18	31	1
32	18	32	1
33	19	33	1
34	19	34	1
35	19	35	1
36	20	36	1
37	20	37	1
38	20	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1