@<TRIPOS>MOLECULE
70401396
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.0778     3.3645    -0.3096	O.3	1	noname	-0.2240
2	O2    -1.4058     5.4443    -1.9217	O.3	1	noname	-0.2113
3	O3     0.7677     5.6811    -1.3809	O.2	1	noname	-0.2461
4	N1     1.3769    -0.0550     0.3998	N.3	1	noname	-0.0203
5	N2     1.4124     0.9675    -0.4043	N.2	1	noname	-0.2864
6	C1     1.0664     0.3803     1.6256	C.2	1	noname	-0.0419
7	C2     1.6240    -1.3955     0.0394	C.3	1	noname	0.0017
8	C3     0.8440     1.7663     1.5326	C.2	1	noname	0.0372
9	C4     1.1110     2.1250     0.2245	C.2	1	noname	0.0863
10	C5     0.6613    -1.8119    -0.9762	C.2	1	noname	-0.0473
11	C6     0.9756    -0.3219     2.8575	C.2	1	noname	-0.0308
12	C7     0.4318     2.5412     2.6502	C.2	1	noname	-0.0149
13	C8     0.5544     0.4425     3.9901	C.2	1	noname	-0.0483
14	C9     0.2813     1.8446     3.8858	C.2	1	noname	-0.0491
15	C10    -0.1955    -2.8775    -0.7263	C.2	1	noname	-0.0561
16	C11     0.6015    -1.1426    -2.1930	C.2	1	noname	-0.0561
17	C12    -1.1121    -3.2738    -1.6932	C.2	1	noname	-0.0599
18	C13    -0.3151    -1.5389    -3.1599	C.2	1	noname	-0.0599
19	C14    -1.1719    -2.6046    -2.9100	C.2	1	noname	-0.0656
20	C15    -0.2254     3.6310    -0.8066	C.3	1	noname	0.1407
21	C16    -0.2613     4.9714    -1.3842	C.2	1	noname	0.1487
22	H1     1.5234    -2.0325     0.9182	H	1	noname	0.0541
23	H2     2.6344    -1.4841    -0.3598	H	1	noname	0.0541
24	H3     1.1983    -1.3146     2.9297	H	1	noname	0.0643
25	H4     0.2532     3.5424     2.5730	H	1	noname	0.0631
26	H5     0.4460    -0.0210     4.8922	H	1	noname	0.0623
27	H6    -0.0274     2.3559     4.7126	H	1	noname	0.0622
28	H7    -0.1517    -3.3686     0.1666	H	1	noname	0.0626
29	H8     1.2302    -0.3606    -2.3764	H	1	noname	0.0626
30	H9    -1.7408    -4.0558    -1.5098	H	1	noname	0.0622
31	H10    -0.3589    -1.0478    -4.0528	H	1	noname	0.0622
32	H11    -1.8445    -2.8954    -3.6195	H	1	noname	0.0622
33	H12    -0.9454     3.5675     0.0093	H	1	noname	0.0682
34	H13    -0.4789     2.8983    -1.5728	H	1	noname	0.0682
35	H14    -1.5936     6.4060    -1.9065	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	9	1
2	1	20	1
3	2	21	1
4	2	35	1
5	3	21	2
6	4	5	1
7	4	6	1
8	4	7	1
9	5	9	2
10	6	8	1
11	6	11	2
12	7	10	1
13	7	22	1
14	7	23	1
15	8	9	1
16	8	12	2
17	10	15	2
18	10	16	1
19	11	13	1
20	11	24	1
21	12	14	1
22	12	25	1
23	13	14	2
24	13	26	1
25	14	27	1
26	15	17	1
27	15	28	1
28	16	18	2
29	16	29	1
30	17	19	2
31	17	30	1
32	18	19	1
33	18	31	1
34	19	32	1
35	20	21	1
36	20	33	1
37	20	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1