@<TRIPOS>MOLECULE
70683039
37 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     9.1678     4.1695     1.0256	O.3	1	noname	-0.3871
2	O2     8.3642     1.7159     0.7558	O.3	1	noname	-0.3869
3	O3     7.7567     6.1925     2.3406	O.3	1	noname	-0.3845
4	O4     6.3480     1.5850     3.7617	O.3	1	noname	-0.3798
5	O5     5.2459    -0.4352     2.0275	O.3	1	noname	-0.2099
6	O6     7.2361    -0.5224     1.2936	O.2	1	noname	-0.2443
7	O7     5.9715     3.8845     7.2375	O.2	1	noname	-0.2841
8	N1     6.3405     4.1808     4.5769	N.2	1	noname	-0.2685
9	N2     5.2495     3.8993     5.1191	N.3	1	noname	0.0605
10	N3     1.1047     4.7987     7.7979	N.2	1	noname	-0.2352
11	C1     7.9087     3.8373     1.6224	C.3	1	noname	0.1140
12	C2     7.9203     2.3241     1.9828	C.3	1	noname	0.1183
13	C3     7.6733     4.8394     2.7826	C.3	1	noname	0.1189
14	C4     6.5579     1.6193     2.3449	C.3	1	noname	0.1677
15	C5     6.3829     4.6206     3.3747	C.2	1	noname	0.0386
16	C6     6.3994     0.2150     1.8685	C.2	1	noname	0.1513
17	C7     5.0056     3.9693     6.4385	C.2	1	noname	0.0559
18	C8     3.6716     4.1690     6.8852	C.2	1	noname	0.0103
19	C9     2.5776     4.2961     5.9850	C.2	1	noname	0.0194
20	C10     3.4100     4.3508     8.2626	C.2	1	noname	0.0194
21	C11     1.2986     4.6175     6.4685	C.2	1	noname	0.0130
22	C12     2.1139     4.6720     8.6953	C.2	1	noname	0.0130
23	H1     7.1539     4.0115     0.8445	H	1	noname	0.0660
24	H2     8.6530     2.1207     2.7812	H	1	noname	0.0662
25	H3     8.4628     4.7166     3.5266	H	1	noname	0.0690
26	H4     5.7551     2.2196     1.9028	H	1	noname	0.0739
27	H5     5.5534     4.7281     2.8199	H	1	noname	0.0833
28	H6     9.8563     3.9712     1.6973	H	1	noname	0.2107
29	H7     8.8004     0.8505     1.0499	H	1	noname	0.2107
30	H8     7.6030     6.7939     3.0989	H	1	noname	0.2110
31	H9     7.0778     1.0891     4.1882	H	1	noname	0.2113
32	H10     4.5301     3.6258     4.5381	H	1	noname	0.1593
33	H11     2.6879     4.1930     4.9734	H	1	noname	0.0646
34	H12     4.1572     4.2873     8.9590	H	1	noname	0.0646
35	H13     0.5185     4.7313     5.8195	H	1	noname	0.0839
36	H14     1.9350     4.8270     9.6863	H	1	noname	0.0839
37	H15     5.3827    -1.3944     1.9701	H	1	noname	0.2214
@<TRIPOS>BOND
1	11	1	1
2	1	28	1
3	12	2	1
4	2	29	1
5	13	3	1
6	3	30	1
7	14	4	1
8	4	31	1
9	5	16	1
10	5	37	1
11	6	16	2
12	7	17	2
13	8	9	1
14	8	15	2
15	9	17	1
16	9	32	1
17	10	21	2
18	10	22	1
19	11	12	1
20	11	13	1
21	11	23	1
22	12	14	1
23	12	24	1
24	13	15	1
25	13	25	1
26	14	16	1
27	14	26	1
28	15	27	1
29	17	18	1
30	18	19	2
31	18	20	1
32	19	21	1
33	19	33	1
34	20	22	2
35	20	34	1
36	21	35	1
37	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1