@<TRIPOS>MOLECULE
76970505
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.4091    -0.0807    -5.3015	O.3	1	noname	-0.2168
2	O2    -0.2550     0.8997    -6.4600	O.2	1	noname	-0.2533
3	O3     3.3286     6.2767     2.2271	O.3	1	noname	-0.2183
4	O4     3.1038     4.0577     1.9143	O.2	1	noname	-0.2586
5	N1     1.7925     3.4617    -0.1871	N.3	1	noname	-0.0167
6	C1    -0.6863     0.4687    -4.1913	C.3	1	noname	0.0671
7	C2    -0.0377     1.2518    -3.1436	C.2	1	noname	-0.0730
8	C3     1.1973     2.7430    -1.1486	C.2	1	noname	-0.0316
9	C4    -0.2691     0.9504    -1.8065	C.2	1	noname	-0.0553
10	C5     0.8112     2.2988    -3.4832	C.2	1	noname	-0.0553
11	C6    -2.0315     1.1059    -4.5455	C.3	1	noname	-0.0490
12	C7     0.3484     1.6960    -0.8091	C.2	1	noname	-0.0579
13	C8     1.4286     3.0444    -2.4857	C.2	1	noname	-0.0579
14	C9     1.0113     4.4989     0.1437	C.2	1	noname	0.0196
15	C10     0.1661     0.4408    -5.3763	C.2	1	noname	0.1386
16	C11     1.4214     5.3923     1.1265	C.2	1	noname	-0.0087
17	C12    -0.2092     4.6815    -0.4959	C.2	1	noname	-0.0439
18	C13     0.6110     6.4683     1.4696	C.2	1	noname	-0.0087
19	C14    -1.0196     5.7574    -0.1527	C.2	1	noname	-0.0373
20	C15    -0.6095     6.6508     0.8300	C.2	1	noname	-0.0680
21	C16     2.6420     5.2098     1.7660	C.2	1	noname	0.0853
22	H1    -0.8486    -0.5490    -3.8364	H	1	noname	0.0456
23	H2    -0.8920     0.1821    -1.5573	H	1	noname	0.0626
24	H3     0.9810     2.5200    -4.4643	H	1	noname	0.0626
25	H4    -2.5157     0.5212    -5.3277	H	1	noname	0.0242
26	H5    -1.8692     2.1236    -4.9004	H	1	noname	0.0242
27	H6    -2.6678     1.1267    -3.6608	H	1	noname	0.0242
28	H7     0.1786     1.4748     0.1721	H	1	noname	0.0639
29	H8     2.0516     3.8127    -2.7349	H	1	noname	0.0639
30	H9     2.6461     3.7900    -0.5103	H	1	noname	0.1342
31	H10    -0.5102     4.0259    -1.2170	H	1	noname	0.0639
32	H11     0.9120     7.1238     2.1907	H	1	noname	0.0631
33	H12    -1.9153     5.8914    -0.6221	H	1	noname	0.0623
34	H13    -1.2042     7.4403     1.0818	H	1	noname	0.0622
35	H14     2.1191     0.2598    -5.8849	H	1	noname	0.2213
36	H15     3.9071     6.1849     3.0129	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	15	1
2	1	35	1
3	2	15	2
4	3	21	1
5	3	36	1
6	4	21	2
7	5	8	1
8	5	14	1
9	5	30	1
10	6	7	1
11	6	11	1
12	6	15	1
13	6	22	1
14	7	9	2
15	7	10	1
16	8	12	2
17	8	13	1
18	9	12	1
19	9	23	1
20	10	13	2
21	10	24	1
22	11	25	1
23	11	26	1
24	11	27	1
25	12	28	1
26	13	29	1
27	14	16	1
28	14	17	2
29	16	18	2
30	16	21	1
31	17	19	1
32	17	31	1
33	18	20	1
34	18	32	1
35	19	20	2
36	19	33	1
37	20	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1