@<TRIPOS>MOLECULE
56842212
38 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.7435     0.0280     0.1001	S.3	1	noname	-0.0184
2	S2    -0.8162     1.6522    -0.7004	S.2	1	noname	-0.0341
3	P1    -0.0198     0.5482     0.6537	P	1	noname	-0.0507
4	O1    -0.8836    -0.7093     0.8643	O.3	1	noname	-0.2118
5	O2     0.0683     1.3374     1.9731	O.3	1	noname	-0.2118
6	C1    -4.4510    -1.1594     1.9242	C.3	1	noname	-0.0513
7	C2     1.3793     0.4252     5.3645	C.3	1	noname	-0.0513
8	C3    -3.0458    -1.5739     1.4830	C.3	1	noname	-0.0287
9	C4     0.7448     1.3049     4.2855	C.3	1	noname	-0.0287
10	C5    -5.3091    -2.4087     2.1334	C.3	1	noname	-0.0561
11	C6     1.4669     1.2092     6.6754	C.3	1	noname	-0.0561
12	C7     0.6572     0.5209     2.9746	C.3	1	noname	0.0589
13	C8    -2.1877    -0.3246     1.2737	C.3	1	noname	0.0589
14	C9    -6.7143    -1.9942     2.5746	C.3	1	noname	-0.0654
15	C10     2.1014     0.3295     7.7545	C.3	1	noname	-0.0654
16	H1    -4.9031    -0.5326     1.1554	H	1	noname	0.0267
17	H2    -4.3886    -0.6008     2.8581	H	1	noname	0.0267
18	H3     0.7680    -0.4648     5.5136	H	1	noname	0.0267
19	H4     2.3804     0.1299     5.0502	H	1	noname	0.0267
20	H5    -0.2563     1.6002     4.5998	H	1	noname	0.0290
21	H6    -3.1082    -2.1324     0.5491	H	1	noname	0.0290
22	H7    -2.5938    -2.2006     2.2517	H	1	noname	0.0290
23	H8     1.3561     2.1949     4.1364	H	1	noname	0.0290
24	H9    -5.3715    -2.9672     1.1995	H	1	noname	0.0264
25	H10    -4.8571    -3.0354     2.9021	H	1	noname	0.0264
26	H11     0.4658     1.5045     6.9897	H	1	noname	0.0264
27	H12     2.0782     2.0993     6.5264	H	1	noname	0.0264
28	H13     0.0459    -0.3691     3.1237	H	1	noname	0.0575
29	H14     1.6583     0.2256     2.6603	H	1	noname	0.0575
30	H15    -2.6398     0.3022     0.5050	H	1	noname	0.0575
31	H16    -2.1253     0.2340     2.2076	H	1	noname	0.0575
32	H17     2.1638     0.8881     8.6884	H	1	noname	0.0230
33	H18    -7.3256    -2.8842     2.7237	H	1	noname	0.0230
34	H19    -7.1664    -1.3674     1.8059	H	1	noname	0.0230
35	H20    -6.6519    -1.4356     3.5085	H	1	noname	0.0230
36	H21     1.4901    -0.5605     7.9036	H	1	noname	0.0230
37	H22     3.1025     0.0342     7.4402	H	1	noname	0.0230
38	H23     1.6657    -0.6689    -1.0652	H	1	noname	0.1155
@<TRIPOS>BOND
1	1	3	1
2	1	38	1
3	2	3	2
4	3	4	1
5	3	5	1
6	4	13	1
7	5	12	1
8	6	8	1
9	6	10	1
10	6	16	1
11	6	17	1
12	7	9	1
13	7	11	1
14	7	18	1
15	7	19	1
16	8	13	1
17	8	21	1
18	8	22	1
19	9	12	1
20	9	20	1
21	9	23	1
22	10	14	1
23	10	24	1
24	10	25	1
25	11	15	1
26	11	26	1
27	11	27	1
28	12	28	1
29	12	29	1
30	13	30	1
31	13	31	1
32	14	33	1
33	14	34	1
34	14	35	1
35	15	32	1
36	15	36	1
37	15	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1