@<TRIPOS>MOLECULE
119025632
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.8387     1.0901     0.9255	O.3	1	noname	-0.3737
2	O2     1.2164     1.9874    -3.2511	O.2	1	noname	-0.2984
3	C1    -0.1006    -0.1204     0.2031	C.3	1	noname	0.0056
4	C2     1.4714     0.0355    -0.0073	C.3	1	noname	0.0784
5	C3    -0.3838     1.4194     0.1609	C.3	1	noname	-0.0025
6	C4    -0.9234    -0.9671    -0.8118	C.3	1	noname	-0.0379
7	C5    -0.6013    -0.8414     1.4894	C.3	1	noname	-0.0439
8	C6    -0.7361    -2.4047    -0.3855	C.3	1	noname	-0.0202
9	C7    -0.7650    -2.3432     1.1394	C.3	1	noname	-0.0460
10	C8     0.7218     1.9922     1.0720	C.3	1	noname	0.0513
11	C9     1.8582     0.4038    -1.4823	C.3	1	noname	0.0356
12	C10    -0.2091     2.0780    -1.2426	C.3	1	noname	0.0118
13	C11     2.3946    -1.1466     0.3306	C.3	1	noname	-0.0348
14	C12     0.9807     1.5353    -2.1098	C.2	1	noname	0.1348
15	C13    -1.8380    -3.1877    -0.8520	C.2	1	noname	-0.0851
16	C14    -1.7784    -3.8116    -2.1373	C.3	1	noname	-0.0439
17	C15    -2.9183    -3.3356    -0.0905	C.2	1	noname	-0.0920
18	H1    -1.3497     1.7441     0.5780	H	1	noname	0.0337
19	H2    -1.9776    -0.7004    -0.7371	H	1	noname	0.0279
20	H3    -0.6183    -0.7944    -1.8439	H	1	noname	0.0279
21	H4    -1.5665    -0.4297     1.7844	H	1	noname	0.0273
22	H5     0.0734    -0.6894     2.3319	H	1	noname	0.0273
23	H6     0.2411    -2.7568    -0.7160	H	1	noname	0.0348
24	H7    -1.7314    -2.6968     1.4990	H	1	noname	0.0273
25	H8     0.0452    -2.9575     1.5322	H	1	noname	0.0273
26	H9     0.3807     1.9829     2.1072	H	1	noname	0.0569
27	H10     0.9550     3.0065     0.7481	H	1	noname	0.0569
28	H11     1.8015    -0.4882    -2.1063	H	1	noname	0.0376
29	H12     2.9123     0.6706    -1.5583	H	1	noname	0.0376
30	H13    -1.1388     1.9880    -1.8044	H	1	noname	0.0350
31	H14    -0.1160     3.1598    -1.1473	H	1	noname	0.0350
32	H15     2.1743    -1.9814    -0.3348	H	1	noname	0.0260
33	H16     2.2301    -1.4523     1.3638	H	1	noname	0.0260
34	H17     3.4339    -0.8442     0.2022	H	1	noname	0.0260
35	H18    -1.6531    -3.0490    -2.9060	H	1	noname	0.0276
36	H19    -2.7023    -4.3610    -2.3177	H	1	noname	0.0276
37	H20    -0.9342    -4.5004    -2.1680	H	1	noname	0.0276
38	H21    -3.6811    -3.8777    -0.4134	H	1	noname	0.0537
39	H22    -2.9596    -2.9036     0.7994	H	1	noname	0.0537
@<TRIPOS>BOND
1	1	4	1
2	1	10	1
3	2	14	2
4	3	4	1
5	3	5	1
6	3	6	1
7	3	7	1
8	4	11	1
9	4	13	1
10	5	10	1
11	5	12	1
12	5	18	1
13	6	8	1
14	6	19	1
15	6	20	1
16	7	9	1
17	7	21	1
18	7	22	1
19	8	9	1
20	8	15	1
21	8	23	1
22	9	24	1
23	9	25	1
24	10	26	1
25	10	27	1
26	11	14	1
27	11	28	1
28	11	29	1
29	12	14	1
30	12	30	1
31	12	31	1
32	13	32	1
33	13	33	1
34	13	34	1
35	15	16	1
36	15	17	2
37	16	35	1
38	16	36	1
39	16	37	1
40	17	38	1
41	17	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1