@<TRIPOS>MOLECULE
121006219
35 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.0451     5.5520     2.5256	O.3	1	noname	-0.3933
2	O2     1.7865     1.9169    -1.6055	O.2	1	noname	-0.2831
3	O3     1.2079    -0.4721     2.3952	O.2	1	noname	-0.2831
4	O4    -2.1003     1.8162     0.4207	O.2	1	noname	-0.2799
5	N1    -0.4271     0.7478     1.4913	N.3	1	noname	0.0838
6	N2    -0.1756     1.5233    -0.7099	N.3	1	noname	0.0838
7	C1     1.8726     1.2094     0.7357	C.3	1	noname	0.1203
8	C2     2.2199     2.5318     1.5883	C.3	1	noname	-0.0194
9	C3     1.0017     3.4884     1.9054	C.3	1	noname	-0.0232
10	C4     3.2315     0.4477     0.3988	C.3	1	noname	-0.0334
11	C5     0.8901     0.4244     1.5686	C.2	1	noname	0.0929
12	C6     1.1755     1.5279    -0.5772	C.2	1	noname	0.0929
13	C7     3.0307     2.2044     2.9150	C.3	1	noname	-0.0609
14	C8     1.1998     4.8760     2.5946	C.3	1	noname	0.0516
15	C9     3.1702    -0.8643    -0.3836	C.3	1	noname	-0.0639
16	C10     1.5188     4.8720     4.1194	C.3	1	noname	-0.0389
17	C11    -0.9374     1.3581     0.3934	C.2	1	noname	0.0379
18	H1     2.9115     3.1122     0.9777	H	1	noname	0.0316
19	H2     0.5450     3.7250     0.9461	H	1	noname	0.0296
20	H3     0.2519     2.9575     2.4905	H	1	noname	0.0296
21	H4     3.9334     1.1360    -0.1037	H	1	noname	0.0279
22	H5     3.7284     0.0960     1.3008	H	1	noname	0.0279
23	H6     3.4740     3.0953     3.3618	H	1	noname	0.0234
24	H7     2.4059     1.6911     3.6410	H	1	noname	0.0234
25	H8     3.8810     1.5312     2.8113	H	1	noname	0.0234
26	H9     1.9281     5.4705     2.0382	H	1	noname	0.0597
27	H10     4.1856    -1.2579    -0.4725	H	1	noname	0.0231
28	H11     2.7652    -0.7062    -1.3713	H	1	noname	0.0231
29	H12     2.5639    -1.5742     0.1728	H	1	noname	0.0231
30	H13    -1.0090     0.5438     2.2283	H	1	noname	0.1414
31	H14    -0.5979     1.7096    -1.5671	H	1	noname	0.1414
32	H15     2.6078     4.9420     4.3409	H	1	noname	0.0256
33	H16     0.9961     5.6978     4.6021	H	1	noname	0.0256
34	H17     1.1123     3.9571     4.5503	H	1	noname	0.0256
35	H18    -0.3042     5.6643     1.5872	H	1	noname	0.2104
@<TRIPOS>BOND
1	14	1	1
2	1	35	1
3	2	12	2
4	3	11	2
5	4	17	2
6	5	11	1
7	5	17	1
8	5	30	1
9	6	12	1
10	6	17	1
11	6	31	1
12	7	8	1
13	7	10	1
14	7	11	1
15	7	12	1
16	8	9	1
17	8	13	1
18	8	18	1
19	9	14	1
20	9	19	1
21	9	20	1
22	10	15	1
23	10	21	1
24	10	22	1
25	13	23	1
26	13	24	1
27	13	25	1
28	14	16	1
29	14	26	1
30	15	27	1
31	15	28	1
32	15	29	1
33	16	32	1
34	16	33	1
35	16	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1