@<TRIPOS>MOLECULE
76966756
38 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.8572     0.0242     2.9363	S	1	noname	0.0021
2	S2     1.9123     3.2637     3.2620	S.3	1	noname	-0.0797
3	S3     3.3623     5.9562     2.4779	S	1	noname	-0.0938
4	O1     1.5194    -0.1809     4.4943	O.2	1	noname	-0.1890
5	O2     0.5990    -0.3639     2.0098	O.2	1	noname	-0.1890
6	O3     3.3497     6.3703     4.0130	O.2	1	noname	-0.1937
7	O4     4.7885     6.2790     1.8535	O.2	1	noname	-0.1937
8	N1     4.6944     1.4512    -0.3141	N.3	1	noname	-0.3095
9	N2     2.1449     6.8490     1.6291	N.3	1	noname	-0.0056
10	C1     3.6826     0.8943     0.5824	C.3	1	noname	0.0357
11	C2     4.3006    -0.2774     1.3975	C.3	1	noname	-0.0167
12	C3     3.1901     1.9677     1.5095	C.2	1	noname	0.0795
13	C4     3.3303    -1.0078     2.4018	C.3	1	noname	0.0644
14	C5     2.2822     1.6995     2.5445	C.2	1	noname	0.1205
15	C6     5.1586     0.4114    -1.2309	C.3	1	noname	-0.0019
16	C7     3.6121     3.3199     1.4456	C.2	1	noname	0.0736
17	C8     3.0402     4.2624     2.3350	C.2	1	noname	0.1238
18	C9     6.2174     0.9942    -2.1691	C.3	1	noname	-0.0345
19	C10     6.7033    -0.0941    -3.1285	C.3	1	noname	-0.0616
20	C11     7.3983     1.5127    -1.3459	C.3	1	noname	-0.0616
21	H1     2.8151     0.4745     0.0732	H	1	noname	0.0517
22	H2     4.7325    -1.0079     0.7134	H	1	noname	0.0299
23	H3     5.1219     0.1618     1.9639	H	1	noname	0.0299
24	H4     2.9794    -1.9385     1.9559	H	1	noname	0.0468
25	H5     3.9102    -1.2939     3.2793	H	1	noname	0.0468
26	H6     4.2883     2.2211    -0.8497	H	1	noname	0.1228
27	H7     4.3173     0.0420    -1.8173	H	1	noname	0.0430
28	H8     5.5917    -0.4098    -0.6597	H	1	noname	0.0430
29	H9     4.3177     3.6099     0.7686	H	1	noname	0.0652
30	H10     5.7843     1.8153    -2.7403	H	1	noname	0.0310
31	H11     7.4576     0.3211    -3.7969	H	1	noname	0.0233
32	H12     5.8620    -0.4635    -3.7150	H	1	noname	0.0233
33	H13     7.1364    -0.9152    -2.5573	H	1	noname	0.0233
34	H14     8.1526     1.9279    -2.0143	H	1	noname	0.0233
35	H15     7.0522     2.2879    -0.6624	H	1	noname	0.0233
36	H16     7.8314     0.6916    -0.7747	H	1	noname	0.0233
37	H17     1.2201     6.5338     1.9288	H	1	noname	0.1404
38	H18     2.2481     6.6951     0.6240	H	1	noname	0.1404
@<TRIPOS>BOND
1	1	4	2
2	1	5	2
3	1	13	1
4	1	14	1
5	2	14	1
6	2	17	1
7	3	6	2
8	3	7	2
9	3	9	1
10	3	17	1
11	10	8	1
12	8	15	1
13	8	26	1
14	9	37	1
15	9	38	1
16	10	11	1
17	10	12	1
18	10	21	1
19	11	13	1
20	11	22	1
21	11	23	1
22	12	14	2
23	12	16	1
24	13	24	1
25	13	25	1
26	15	18	1
27	15	27	1
28	15	28	1
29	16	17	2
30	16	29	1
31	18	19	1
32	18	20	1
33	18	30	1
34	19	31	1
35	19	32	1
36	19	33	1
37	20	34	1
38	20	35	1
39	20	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1