@<TRIPOS>MOLECULE
119026119
38 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.1697    -1.1584    -0.8476	O.3	1	noname	-0.1948
2	O2    -0.7808    -1.8844    -3.5060	O.3	1	noname	-0.1974
3	O3     1.0892    -0.6330    -3.3291	O.2	1	noname	-0.2416
4	O4     1.9859    -0.0051     1.7172	O.3	1	noname	-0.2180
5	O5    -0.1949    -5.3737    -1.6873	O.3	1	noname	-0.2180
6	O6     0.3548    -1.4798     1.6178	O.2	1	noname	-0.2548
7	O7    -1.7380    -3.7966    -1.8939	O.2	1	noname	-0.2548
8	O8    -2.9840     0.0205    -0.2374	O.2	1	noname	-0.2541
9	C1     0.1577    -1.5630    -1.2944	C.3	1	noname	0.1814
10	C2     0.4082    -3.0999    -1.0422	C.3	1	noname	0.0735
11	C3     1.2119    -0.7168    -0.5057	C.3	1	noname	0.0735
12	C4     0.1989    -1.3281    -2.7694	C.2	1	noname	0.1577
13	C5    -1.3181    -1.4117    -4.7240	C.3	1	noname	0.0565
14	C6    -2.2474    -2.4571    -5.3497	C.3	1	noname	-0.0292
15	C7    -2.8651    -1.8915    -6.6529	C.3	1	noname	-0.0539
16	C8    -0.5714    -4.0865    -1.5580	C.2	1	noname	0.1365
17	C9     1.1625    -0.7722     0.9804	C.2	1	noname	0.1365
18	C10    -1.8759     0.0335    -0.8274	C.2	1	noname	0.1434
19	C11    -3.7891    -2.9080    -7.3510	C.3	1	noname	-0.0653
20	C12    -1.4942     1.3201    -1.4586	C.3	1	noname	0.0221
21	H1     0.4853    -3.3072     0.0210	H	1	noname	0.0408
22	H2     1.3701    -3.3613    -1.4928	H	1	noname	0.0408
23	H3     1.0086     0.3220    -0.7537	H	1	noname	0.0408
24	H4     2.2327    -0.9336    -0.8419	H	1	noname	0.0408
25	H5    -3.0420    -2.7215    -4.6517	H	1	noname	0.0290
26	H6    -1.6836    -3.3636    -5.5736	H	1	noname	0.0290
27	H7    -1.8859    -0.5240    -4.4929	H	1	noname	0.0573
28	H8    -0.5533    -1.1349    -5.4345	H	1	noname	0.0573
29	H9    -3.4438    -0.9905    -6.4271	H	1	noname	0.0264
30	H10    -2.0676    -1.6145    -7.3489	H	1	noname	0.0264
31	H11    -4.1954    -2.4680    -8.2656	H	1	noname	0.0230
32	H12    -4.6157    -3.1786    -6.6904	H	1	noname	0.0230
33	H13    -3.2267    -3.8074    -7.6110	H	1	noname	0.0230
34	H14    -0.6532     1.2019    -2.1388	H	1	noname	0.0336
35	H15    -2.3474     1.7252    -2.0026	H	1	noname	0.0336
36	H16    -1.2866     2.0491    -0.6752	H	1	noname	0.0336
37	H17     1.8819     0.0051     2.6843	H	1	noname	0.2213
38	H18    -0.8454    -6.0102    -2.0607	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	9	1
2	1	18	1
3	2	12	1
4	2	13	1
5	3	12	2
6	4	17	1
7	4	37	1
8	5	16	1
9	5	38	1
10	6	17	2
11	7	16	2
12	8	18	2
13	9	10	1
14	9	11	1
15	9	12	1
16	10	16	1
17	10	21	1
18	10	22	1
19	11	17	1
20	11	23	1
21	11	24	1
22	13	14	1
23	13	27	1
24	13	28	1
25	14	15	1
26	14	25	1
27	14	26	1
28	15	19	1
29	15	29	1
30	15	30	1
31	18	20	1
32	19	31	1
33	19	32	1
34	19	33	1
35	20	34	1
36	20	35	1
37	20	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1