@<TRIPOS>MOLECULE
119026041
34 34 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.0584    -2.1331    -0.0738	O.3	1	noname	-0.2072
2	O2    -0.4337    -4.5857     3.2813	O.3	1	noname	-0.3954
3	O3     2.6437    -4.1303     0.5002	O.3	1	noname	-0.3954
4	O4    -0.9852    -6.1826     0.3207	O.3	1	noname	-0.3954
5	O5    -0.5757    -0.1284     0.8129	O.2	1	noname	-0.2587
6	O6     1.2012     1.7754    -4.8573	O.3	1	noname	-0.2830
7	C1     0.2916    -4.2579     1.0071	C.3	1	noname	0.0636
8	C2     0.2224    -2.7392     1.1793	C.3	1	noname	0.0690
9	C3     0.5942    -4.9110     2.3572	C.3	1	noname	0.0555
10	C4     1.3992    -4.6084     0.0114	C.3	1	noname	0.0555
11	C5    -1.0494    -4.7731     0.4805	C.3	1	noname	0.0555
12	C6    -0.1662    -0.7905    -0.1651	C.2	1	noname	0.0843
13	C7     0.1781    -0.1444    -1.3466	C.2	1	noname	-0.0163
14	C8     0.0299    -0.7975    -2.5646	C.2	1	noname	0.0048
15	C9     0.6707     1.1549    -1.3102	C.2	1	noname	0.0048
16	C10     0.3742    -0.1514    -3.7462	C.2	1	noname	-0.0138
17	C11     1.0151     1.8010    -2.4918	C.2	1	noname	-0.0138
18	C12     0.8668     1.1478    -3.7097	C.2	1	noname	0.0225
19	H1    -0.5666    -2.4895     1.8887	H	1	noname	0.0581
20	H2     1.1778    -2.3722     1.5545	H	1	noname	0.0581
21	H3     1.1836    -4.1431    -0.9504	H	1	noname	0.0571
22	H4     0.6435    -5.9930     2.2346	H	1	noname	0.0571
23	H5     1.5495    -4.5440     2.7324	H	1	noname	0.0571
24	H6     1.4484    -5.6903    -0.1113	H	1	noname	0.0571
25	H7    -1.8384    -4.5234     1.1899	H	1	noname	0.0571
26	H8    -1.2649    -4.3078    -0.4813	H	1	noname	0.0571
27	H9    -0.2399    -5.0041     4.1461	H	1	noname	0.2100
28	H10     3.3531    -4.3547    -0.1376	H	1	noname	0.2100
29	H11    -1.8441    -6.5126    -0.0166	H	1	noname	0.2100
30	H12    -0.3316    -1.7510    -2.5914	H	1	noname	0.0632
31	H13     0.7795     1.6342    -0.4164	H	1	noname	0.0632
32	H14     0.2654    -0.6307    -4.6400	H	1	noname	0.0650
33	H15     1.3766     2.7544    -2.4650	H	1	noname	0.0650
34	H16     1.0362     1.1779    -5.6164	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	8	1
2	1	12	1
3	2	9	1
4	2	27	1
5	3	10	1
6	3	28	1
7	4	11	1
8	4	29	1
9	5	12	2
10	6	18	1
11	6	34	1
12	7	8	1
13	7	9	1
14	7	10	1
15	7	11	1
16	8	19	1
17	8	20	1
18	9	22	1
19	9	23	1
20	10	21	1
21	10	24	1
22	11	25	1
23	11	26	1
24	12	13	1
25	13	14	2
26	13	15	1
27	14	16	1
28	14	30	1
29	15	17	2
30	15	31	1
31	16	18	2
32	16	32	1
33	17	18	1
34	17	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1