@<TRIPOS>MOLECULE
71587070
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.0272     2.2270    -0.1191	O.3	1	noname	-0.1873
2	O2     0.3044    -3.3990     1.2080	O.3	1	noname	-0.3798
3	O3     3.9302     4.8199     0.4174	O.2	1	noname	-0.2906
4	O4     4.0173    -0.9215    -0.9554	O.3	1	noname	-0.2149
5	O5     5.4955     0.0382     0.4469	O.2	1	noname	-0.2533
6	N1     1.5811    -0.0377    -0.1855	N.2	1	noname	-0.1961
7	N2     5.5196     2.6309     0.3490	N.3	1	noname	-0.1363
8	C1     0.2311    -0.1736    -0.0706	C.2	1	noname	0.0434
9	C2     2.2050     1.1780    -0.1975	C.2	1	noname	0.0821
10	C3    -0.3472    -1.4719     0.0282	C.2	1	noname	0.0069
11	C4    -0.5821     0.9996    -0.0369	C.2	1	noname	0.0446
12	C5     1.3919     2.3673    -0.1595	C.2	1	noname	0.0508
13	C6     3.6241     1.2461    -0.0735	C.2	1	noname	0.1048
14	C7     4.1967     2.5281     0.1621	C.2	1	noname	0.0082
15	C8     0.4826    -2.6729     0.0008	C.3	1	noname	0.0736
16	C9     1.9772     3.6591     0.0071	C.2	1	noname	0.0848
17	C10    -1.7630    -1.5570     0.1546	C.2	1	noname	-0.0441
18	C11    -1.9962     0.9168     0.0966	C.2	1	noname	-0.0113
19	C12     3.3861     3.7150     0.2038	C.2	1	noname	0.0930
20	C13    -2.5751    -0.3821     0.1881	C.2	1	noname	-0.0454
21	C14     4.4153     0.1082    -0.1783	C.2	1	noname	0.1187
22	C15     1.1115    -4.5670     1.1814	C.3	1	noname	0.0360
23	H1     0.1916    -3.2964    -0.8445	H	1	noname	0.0618
24	H2     1.5300    -2.3886    -0.1009	H	1	noname	0.0618
25	H3     1.4096     4.5063    -0.0140	H	1	noname	0.0692
26	H4    -2.2054    -2.4735     0.2225	H	1	noname	0.0627
27	H5    -2.5745     1.7566     0.1257	H	1	noname	0.0651
28	H6    -3.5868    -0.4746     0.2792	H	1	noname	0.0623
29	H7     5.7541     3.5606     0.4961	H	1	noname	0.1244
30	H8     5.7786     2.1059     1.1224	H	1	noname	0.1244
31	H9     0.9747    -5.1244     2.1081	H	1	noname	0.0529
32	H10     0.8204    -5.1905     0.3360	H	1	noname	0.0529
33	H11     2.1588    -4.2827     1.0796	H	1	noname	0.0529
34	H12     4.2783    -1.8379    -0.7261	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	11	1
2	1	12	1
3	2	15	1
4	2	22	1
5	3	19	2
6	4	21	1
7	4	34	1
8	5	21	2
9	6	8	1
10	6	9	2
11	7	14	1
12	7	29	1
13	7	30	1
14	8	10	2
15	8	11	1
16	9	12	1
17	9	13	1
18	10	15	1
19	10	17	1
20	11	18	2
21	12	16	2
22	13	14	2
23	13	21	1
24	14	19	1
25	15	23	1
26	15	24	1
27	16	19	1
28	16	25	1
29	17	20	2
30	17	26	1
31	18	20	1
32	18	27	1
33	20	28	1
34	22	31	1
35	22	32	1
36	22	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1