@<TRIPOS>MOLECULE
71655238
37 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.5851    -1.7293     0.6559	O.3	1	noname	-0.2138
2	O2    -4.9294    -0.7693    -1.3522	O.2	1	noname	-0.2493
3	O3    -1.2889    -2.8911     0.9519	O.2	1	noname	-0.2983
4	O4     1.1539    -9.1745    -0.3987	O.3	1	noname	-0.2758
5	O5     1.5447    -9.7643    -3.0458	O.3	1	noname	-0.2765
6	N1    -2.5113    -2.9780    -0.9272	N.3	1	noname	-0.0713
7	C1    -2.5324    -1.0579    -2.3694	C.3	1	noname	-0.0216
8	C2    -2.7649    -1.5912    -0.9544	C.3	1	noname	0.1025
9	C3    -1.0823    -1.3193    -2.7812	C.3	1	noname	-0.0607
10	C4    -2.8076     0.4469    -2.3989	C.3	1	noname	-0.0607
11	C5    -4.1487    -1.3417    -0.5615	C.2	1	noname	0.1441
12	C6    -1.5587    -3.4693    -0.1230	C.2	1	noname	0.0176
13	C7    -0.8856    -4.5970    -0.4762	C.2	1	noname	0.0269
14	C8    -0.4996    -6.3398    -1.9731	C.2	1	noname	-0.0482
15	C9    -1.1727    -5.2121    -1.6199	C.2	1	noname	-0.0192
16	C10    -0.0098    -7.1932    -0.9913	C.2	1	noname	-0.0130
17	C11    -0.3013    -6.6390    -3.3160	C.2	1	noname	-0.0529
18	C12     0.6782    -8.3457    -1.3523	C.2	1	noname	0.0249
19	C13     0.3867    -7.7916    -3.6770	C.2	1	noname	-0.0215
20	C14     0.8765    -8.6449    -2.6952	C.2	1	noname	0.0226
21	H1    -3.2040    -1.5637    -3.0632	H	1	noname	0.0318
22	H2    -2.0934    -1.0854    -0.2606	H	1	noname	0.0581
23	H3    -2.6420     0.8269    -3.4070	H	1	noname	0.0234
24	H4    -3.8407     0.6332    -2.1056	H	1	noname	0.0234
25	H5    -0.9167    -0.9393    -3.7893	H	1	noname	0.0234
26	H6    -0.8863    -2.3913    -2.7602	H	1	noname	0.0234
27	H7    -0.4108    -0.8135    -2.0874	H	1	noname	0.0234
28	H8    -2.1361     0.9527    -1.7051	H	1	noname	0.0234
29	H9    -3.0264    -3.5763    -1.4907	H	1	noname	0.1322
30	H10    -0.1818    -4.9599     0.1180	H	1	noname	0.0674
31	H11    -1.8765    -4.8491    -2.2141	H	1	noname	0.0630
32	H12    -5.5241    -1.9793     0.7831	H	1	noname	0.2213
33	H13    -0.1553    -6.9736    -0.0059	H	1	noname	0.0657
34	H14    -0.6607    -6.0128    -4.0365	H	1	noname	0.0629
35	H15     0.5322    -8.0111    -4.6624	H	1	noname	0.0651
36	H16     0.9289    -8.8179     0.4859	H	1	noname	0.2183
37	H17     1.5945    -9.8225    -4.0228	H	1	noname	0.2183
@<TRIPOS>BOND
1	1	11	1
2	1	32	1
3	2	11	2
4	3	12	2
5	4	18	1
6	4	36	1
7	5	20	1
8	5	37	1
9	8	6	1
10	6	12	1
11	6	29	1
12	7	8	1
13	7	9	1
14	7	10	1
15	7	21	1
16	8	11	1
17	8	22	1
18	9	25	1
19	9	26	1
20	9	27	1
21	10	23	1
22	10	24	1
23	10	28	1
24	12	13	1
25	13	15	2
26	13	30	1
27	14	15	1
28	14	16	2
29	14	17	1
30	15	31	1
31	16	18	1
32	16	33	1
33	17	19	2
34	17	34	1
35	18	20	2
36	19	20	1
37	19	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1