@<TRIPOS>MOLECULE
119025635
38 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.1537     1.4477    -1.3783	O.3	1	noname	-0.2637
2	O2     2.8447     3.4078     1.6013	O.3	1	noname	-0.2578
3	O3     4.4164     2.7979    -1.2705	O.3	1	noname	-0.3794
4	O4     4.8266    -2.5737    -1.3652	O.3	1	noname	-0.2467
5	O5     2.6580    -3.1252    -2.1615	O.3	1	noname	-0.2433
6	O6     1.3733     5.1066     3.1008	O.3	1	noname	-0.2572
7	O7    -1.1855     5.8521     2.3110	O.3	1	noname	-0.2742
8	C1     3.3550     2.1534    -0.5603	C.3	1	noname	0.1468
9	C2     1.9599     2.6125    -1.1024	C.3	1	noname	0.1271
10	C3     3.3077     0.7423    -0.9642	C.2	1	noname	-0.0073
11	C4     3.5339     2.3006     0.9851	C.3	1	noname	0.0896
12	C5     1.1499     3.4922    -0.2349	C.2	1	noname	-0.0159
13	C6     2.0197     0.4162    -1.4386	C.2	1	noname	0.0149
14	C7     1.6502     3.8325     1.0757	C.2	1	noname	0.0456
15	C8     4.3637    -0.2112    -0.9254	C.2	1	noname	0.0068
16	C9     1.6682    -0.8780    -1.8976	C.2	1	noname	0.0169
17	C10    -0.1475     3.8975    -0.6633	C.2	1	noname	-0.0417
18	C11     4.0077    -1.5090    -1.3564	C.2	1	noname	0.0235
19	C12     2.7204    -1.8254    -1.8180	C.2	1	noname	0.0422
20	C13     0.8761     4.6810     1.9201	C.2	1	noname	0.0512
21	C14    -0.9551     4.6589     0.2372	C.2	1	noname	-0.0320
22	C15    -0.4331     5.0761     1.5022	C.2	1	noname	0.0326
23	C16     3.8551    -3.6182    -1.5316	C.3	1	noname	0.1587
24	C17     2.0657     6.3314     2.9090	C.3	1	noname	0.0425
25	H1     2.0960     3.1392    -2.0500	H	1	noname	0.0697
26	H2     3.2405     1.3721     1.4749	H	1	noname	0.0607
27	H3     4.5976     2.3803     1.2094	H	1	noname	0.0607
28	H4     5.3049     0.0242    -0.6108	H	1	noname	0.0656
29	H5     4.3402     3.7689    -1.1612	H	1	noname	0.2115
30	H6     0.7403    -1.1076    -2.2536	H	1	noname	0.0678
31	H7    -0.4918     3.6500    -1.5910	H	1	noname	0.0628
32	H8    -1.9096     4.9065    -0.0238	H	1	noname	0.0651
33	H9     3.6058    -4.0409    -0.5583	H	1	noname	0.0892
34	H10     4.2758    -4.4461    -2.1023	H	1	noname	0.0892
35	H11    -2.0479     6.0318     1.8816	H	1	noname	0.2183
36	H12     2.4671     6.6750     3.8623	H	1	noname	0.0535
37	H13     1.3784     7.0792     2.5134	H	1	noname	0.0535
38	H14     2.8831     6.1801     2.2039	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	9	1
2	1	13	1
3	2	11	1
4	2	14	1
5	8	3	1
6	3	29	1
7	4	18	1
8	4	23	1
9	5	19	1
10	5	23	1
11	6	20	1
12	6	24	1
13	7	22	1
14	7	35	1
15	8	9	1
16	8	10	1
17	8	11	1
18	9	12	1
19	9	25	1
20	10	13	1
21	10	15	2
22	11	26	1
23	11	27	1
24	12	14	2
25	12	17	1
26	13	16	2
27	14	20	1
28	15	18	1
29	15	28	1
30	16	19	1
31	16	30	1
32	17	21	2
33	17	31	1
34	18	19	2
35	20	22	2
36	21	22	1
37	21	32	1
38	23	33	1
39	23	34	1
40	24	36	1
41	24	37	1
42	24	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1