@<TRIPOS>MOLECULE
92136333
39 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -2.2855    -0.9132     0.1985	S.3	1	noname	-0.1611
2	O1     3.2490     1.6398    -2.8356	O.3	1	noname	-0.2641
3	O2     3.0541     1.5091    -7.0019	O.3	1	noname	-0.3959
4	O3    -5.2233    -1.9779     1.1371	O.3	1	noname	-0.2130
5	O4    -4.9391    -3.7754    -0.1898	O.2	1	noname	-0.2509
6	N1    -0.7743    -2.7732    -0.2360	N.2	1	noname	-0.2023
7	N2     1.1947     4.0107    -1.3930	N.1	1	noname	-0.1810
8	C1     3.7383     2.6254    -4.9792	C.3	1	noname	0.0031
9	C2     2.7535     1.7909    -4.1578	C.3	1	noname	0.0582
10	C3     3.2045     2.7882    -6.4038	C.3	1	noname	0.0479
11	C4     3.9004     4.0035    -4.3347	C.3	1	noname	-0.0581
12	C5     2.3800     0.9035    -2.1109	C.2	1	noname	0.0565
13	C6     0.4623    -0.6543    -0.6973	C.2	1	noname	-0.0231
14	C7     1.3335     1.5747    -1.3942	C.2	1	noname	0.0314
15	C8     2.5351    -0.5200    -2.0843	C.2	1	noname	-0.0072
16	C9     0.3709     0.7890    -0.6790	C.2	1	noname	0.0280
17	C10     1.5705    -1.3016    -1.3651	C.2	1	noname	-0.0033
18	C11    -0.6519    -1.4243    -0.2293	C.2	1	noname	0.1076
19	C12    -2.0064    -3.3216    -0.0351	C.2	1	noname	0.0810
20	C13    -3.1017    -2.4682     0.1939	C.2	1	noname	0.0649
21	C14    -2.1864    -4.7703    -0.0572	C.3	1	noname	0.0500
22	C15     1.2600     2.8646    -1.3936	C.1	1	noname	0.0732
23	C16    -4.4474    -2.7702     0.3672	C.2	1	noname	0.1117
24	H1     4.7047     2.1221    -5.0086	H	1	noname	0.0347
25	H2     1.7871     2.2941    -4.1284	H	1	noname	0.0575
26	H3     2.6381     0.8091    -4.6169	H	1	noname	0.0575
27	H4     2.2381     3.2914    -6.3744	H	1	noname	0.0567
28	H5     3.9061     3.3827    -6.9889	H	1	noname	0.0567
29	H6     4.6020     4.5981    -4.9199	H	1	noname	0.0235
30	H7     2.9340     4.5068    -4.3053	H	1	noname	0.0235
31	H8     4.2807     3.8876    -3.3198	H	1	noname	0.0235
32	H9     3.3143    -0.9684    -2.5662	H	1	noname	0.0650
33	H10    -0.3770     1.2471    -0.1583	H	1	noname	0.0644
34	H11     1.6663    -2.3163    -1.3245	H	1	noname	0.0630
35	H12     2.7122     1.6134    -7.9144	H	1	noname	0.2100
36	H13    -1.8868    -5.1588    -1.0305	H	1	noname	0.0296
37	H14    -3.2347    -5.0090     0.1223	H	1	noname	0.0296
38	H15    -1.5721    -5.2246     0.7201	H	1	noname	0.0296
39	H16    -6.1793    -1.8883     0.9408	H	1	noname	0.2217
@<TRIPOS>BOND
1	1	18	1
2	1	20	1
3	2	9	1
4	2	12	1
5	3	10	1
6	3	35	1
7	4	23	1
8	4	39	1
9	5	23	2
10	6	18	2
11	6	19	1
12	7	22	3
13	8	9	1
14	8	10	1
15	8	11	1
16	8	24	1
17	9	25	1
18	9	26	1
19	10	27	1
20	10	28	1
21	11	29	1
22	11	30	1
23	11	31	1
24	12	14	2
25	12	15	1
26	13	16	2
27	13	17	1
28	13	18	1
29	14	16	1
30	14	22	1
31	15	17	2
32	15	32	1
33	16	33	1
34	17	34	1
35	19	20	2
36	19	21	1
37	20	23	1
38	21	36	1
39	21	37	1
40	21	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1