@<TRIPOS>MOLECULE
76966357
38 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.3586    -1.4595    -4.1904	O.3	1	noname	-0.3630
2	O2    -0.6357     1.6994    -2.6996	O.3	1	noname	-0.3658
3	O3     0.0814    -3.0056    -1.7782	O.3	1	noname	-0.3854
4	O4     2.2038     0.2293     0.3635	O.3	1	noname	-0.2024
5	O5     3.9716    -0.6441    -1.0077	O.2	1	noname	-0.2515
6	C1     0.1327     0.4931    -2.4869	C.3	1	noname	0.1286
7	C2    -0.2744    -0.5277    -1.3811	C.3	1	noname	0.0363
8	C3     0.7254    -1.7406    -1.6848	C.3	1	noname	0.1147
9	C4     0.7847    -0.1784    -3.7081	C.3	1	noname	0.1191
10	C5     1.3101    -1.4666    -3.1101	C.3	1	noname	0.1174
11	C6     1.8810    -1.9425    -0.6181	C.3	1	noname	0.0861
12	C7     0.6895     1.8851    -2.1743	C.3	1	noname	0.0801
13	C8    -0.2614     0.0076     0.1030	C.3	1	noname	-0.0142
14	C9     1.0212    -0.3799     0.9132	C.3	1	noname	0.0754
15	C10     1.3050    -1.8939     0.8068	C.3	1	noname	0.0213
16	C11    -1.7671    -0.8662    -1.5956	C.3	1	noname	-0.0537
17	C12     2.8425    -0.7477    -0.4814	C.2	1	noname	0.1445
18	C13     2.3221    -2.2554     1.7447	C.2	1	noname	-0.0828
19	C14     2.4958    -3.6246     2.1188	C.3	1	noname	-0.0438
20	C15     3.1065    -1.3181     2.2691	C.2	1	noname	-0.0907
21	H1     1.4590     0.3590    -4.3898	H	1	noname	0.0663
22	H2     2.3373    -1.7104    -3.3746	H	1	noname	0.0663
23	H3     2.4551    -2.8386    -0.8536	H	1	noname	0.0447
24	H4     1.3578     2.1977    -2.9766	H	1	noname	0.0598
25	H5     0.7664     2.1753    -1.1265	H	1	noname	0.0598
26	H6    -1.1457    -0.3542     0.6275	H	1	noname	0.0301
27	H7    -0.3781     1.0914     0.1009	H	1	noname	0.0301
28	H8     0.9032    -0.0281     1.9382	H	1	noname	0.0616
29	H9     0.4295    -2.5254     0.9577	H	1	noname	0.0384
30	H10    -2.0902    -1.5804    -0.8383	H	1	noname	0.0238
31	H11    -1.9024    -1.3007    -2.5861	H	1	noname	0.0238
32	H12    -2.3614     0.0439    -1.5138	H	1	noname	0.0238
33	H13    -0.3700    -3.2056    -0.9317	H	1	noname	0.2110
34	H14     2.7314    -4.2159     1.2340	H	1	noname	0.0276
35	H15     1.5765    -3.9972     2.5706	H	1	noname	0.0276
36	H16     3.3119    -3.7043     2.8369	H	1	noname	0.0276
37	H17     3.8107    -1.5683     2.9185	H	1	noname	0.0537
38	H18     2.9863    -0.3702     2.0102	H	1	noname	0.0537
@<TRIPOS>BOND
1	9	1	1
2	10	1	1
3	6	2	1
4	2	12	1
5	8	3	1
6	3	33	1
7	4	14	1
8	4	17	1
9	5	17	2
10	6	7	1
11	6	9	1
12	6	12	1
13	7	8	1
14	7	13	1
15	7	16	1
16	8	10	1
17	8	11	1
18	9	10	1
19	9	21	1
20	10	22	1
21	11	15	1
22	11	17	1
23	11	23	1
24	12	24	1
25	12	25	1
26	13	14	1
27	13	26	1
28	13	27	1
29	14	15	1
30	14	28	1
31	15	18	1
32	15	29	1
33	16	30	1
34	16	31	1
35	16	32	1
36	18	19	1
37	18	20	2
38	19	34	1
39	19	35	1
40	19	36	1
41	20	37	1
42	20	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1