@<TRIPOS>MOLECULE
121237820
40 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.4100     0.4729     0.8455	O.3	1	noname	-0.2047
2	O2    -1.2917     2.0263     0.2586	O.2	1	noname	-0.2540
3	C1     1.5316     0.1663    -0.0325	C.3	1	noname	0.0673
4	C2     1.1955    -1.0173    -0.9983	C.3	1	noname	-0.0256
5	C3     2.7555    -0.1957     0.8112	C.3	1	noname	-0.0258
6	C4    -0.1283    -0.6872    -1.7590	C.3	1	noname	-0.0415
7	C5     3.1213     0.9855     1.7123	C.3	1	noname	-0.0473
8	C6    -1.2928    -0.1740    -0.8675	C.3	1	noname	0.0338
9	C7     4.3452     0.6235     2.5559	C.3	1	noname	-0.0349
10	C8    -0.7620     0.9033     0.1142	C.2	1	noname	0.1409
11	C9     4.6871     1.7275     3.3981	C.2	1	noname	-0.0885
12	C10     6.0679     2.7415     5.0657	C.3	1	noname	-0.0350
13	C11     5.7260     1.6375     4.2236	C.2	1	noname	-0.0885
14	C12     5.9922     2.3078     6.5310	C.3	1	noname	-0.0501
15	C13     6.3579     3.4890     7.4321	C.3	1	noname	-0.0559
16	C14     6.2822     3.0553     8.8973	C.3	1	noname	-0.0654
17	H1     1.7030     1.0464    -0.6522	H	1	noname	0.0609
18	H2     1.0639    -1.9319    -0.4201	H	1	noname	0.0293
19	H3     2.0149    -1.2133    -1.6898	H	1	noname	0.0293
20	H4     2.5279    -1.0657     1.4271	H	1	noname	0.0293
21	H5     3.5946    -0.4251     0.1544	H	1	noname	0.0293
22	H6    -0.4563    -1.5652    -2.3153	H	1	noname	0.0273
23	H7     0.1143     0.1357    -2.4314	H	1	noname	0.0273
24	H8     2.2822     1.2149     2.3691	H	1	noname	0.0270
25	H9     3.3490     1.8555     1.0963	H	1	noname	0.0270
26	H10    -2.0690     0.2598    -1.4979	H	1	noname	0.0372
27	H11    -1.6178    -1.0314    -0.2781	H	1	noname	0.0372
28	H12     4.1176    -0.2465     3.1719	H	1	noname	0.0309
29	H13     5.1843     0.3941     1.8991	H	1	noname	0.0309
30	H14     4.1504     2.5588     3.3667	H	1	noname	0.0572
31	H15     5.3696     3.5604     4.8926	H	1	noname	0.0309
32	H16     7.0807     3.0731     4.8368	H	1	noname	0.0309
33	H17     4.9794     1.9762     6.7599	H	1	noname	0.0269
34	H18     6.6904     1.4889     6.7041	H	1	noname	0.0269
35	H19     6.2627     0.8062     4.2550	H	1	noname	0.0572
36	H20     5.6596     4.3079     7.2590	H	1	noname	0.0264
37	H21     7.3707     3.8206     7.2032	H	1	noname	0.0264
38	H22     6.5427     3.8968     9.5393	H	1	noname	0.0230
39	H23     5.2694     2.7236     9.1262	H	1	noname	0.0230
40	H24     6.9804     2.2364     9.0704	H	1	noname	0.0230
@<TRIPOS>BOND
1	1	3	1
2	1	10	1
3	2	10	2
4	3	4	1
5	3	5	1
6	3	17	1
7	4	6	1
8	4	18	1
9	4	19	1
10	5	7	1
11	5	20	1
12	5	21	1
13	6	8	1
14	6	22	1
15	6	23	1
16	7	9	1
17	7	24	1
18	7	25	1
19	8	10	1
20	8	26	1
21	8	27	1
22	9	11	1
23	9	28	1
24	9	29	1
25	11	13	2
26	11	30	1
27	12	13	1
28	12	14	1
29	12	31	1
30	12	32	1
31	13	35	1
32	14	15	1
33	14	33	1
34	14	34	1
35	15	16	1
36	15	36	1
37	15	37	1
38	16	38	1
39	16	39	1
40	16	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1