@<TRIPOS>MOLECULE
69882442
35 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.9362     2.2240     0.6286	O.3	1	noname	-0.1493
2	O2     2.9276     1.2327     0.5298	O.2	1	noname	-0.2498
3	N1     3.5514     1.6367    -1.4411	N.3	1	noname	-0.0373
4	C1     6.9772     4.8737    -2.9839	C.3	1	noname	0.0147
5	C2     6.5591     6.3222    -2.7597	C.3	1	noname	-0.0492
6	C3     6.0356     4.3663    -4.0953	C.3	1	noname	-0.0492
7	C4     7.0590     4.1620    -1.6599	C.2	1	noname	-0.0430
8	C5     6.3616     2.9054    -4.4123	C.3	1	noname	-0.0648
9	C6     7.4316     6.9415    -1.6660	C.3	1	noname	-0.0648
10	C7     5.9194     3.7730    -0.9203	C.2	1	noname	-0.0191
11	C8     8.3226     3.9920    -1.0300	C.2	1	noname	-0.0640
12	C9     6.0331     2.9240     0.1973	C.2	1	noname	0.0059
13	C10     8.4240     3.3291     0.2253	C.2	1	noname	-0.0497
14	C11     7.2852     2.7593     0.8282	C.2	1	noname	-0.0241
15	C12     3.8499     1.7620    -0.1141	C.2	1	noname	0.0616
16	C13     4.1784     1.8558    -2.6843	C.3	1	noname	-0.0065
17	H1     8.0112     4.9191    -3.3260	H	1	noname	0.0352
18	H2     5.0017     4.4431    -3.7587	H	1	noname	0.0270
19	H3     6.1719     4.9716    -4.9915	H	1	noname	0.0270
20	H4     5.5137     6.3553    -2.4528	H	1	noname	0.0270
21	H5     6.6839     6.8838    -3.6855	H	1	noname	0.0270
22	H6     7.1326     7.9773    -1.5057	H	1	noname	0.0231
23	H7     7.3068     6.3799    -0.7402	H	1	noname	0.0231
24	H8     8.4770     6.9084    -1.9730	H	1	noname	0.0231
25	H9     5.6962     2.5468    -5.1976	H	1	noname	0.0231
26	H10     6.2253     2.3000    -3.5162	H	1	noname	0.0231
27	H11     7.3954     2.8286    -4.7489	H	1	noname	0.0231
28	H12     4.9843     4.0884    -1.1895	H	1	noname	0.0653
29	H13     9.1707     4.4060    -1.4405	H	1	noname	0.0625
30	H14     9.3342     3.2945     0.7234	H	1	noname	0.0623
31	H15     7.3487     2.2338     1.7152	H	1	noname	0.0650
32	H16     2.6496     1.3007    -1.5627	H	1	noname	0.1331
33	H17     3.6063     2.5866    -3.2560	H	1	noname	0.0397
34	H18     4.2256     0.9179    -3.2377	H	1	noname	0.0397
35	H19     5.1881     2.2323    -2.5207	H	1	noname	0.0397
@<TRIPOS>BOND
1	1	12	1
2	1	15	1
3	2	15	2
4	3	15	1
5	3	16	1
6	3	32	1
7	4	5	1
8	4	6	1
9	4	7	1
10	4	17	1
11	5	9	1
12	5	20	1
13	5	21	1
14	6	8	1
15	6	18	1
16	6	19	1
17	7	10	2
18	7	11	1
19	8	25	1
20	8	26	1
21	8	27	1
22	9	22	1
23	9	23	1
24	9	24	1
25	10	12	1
26	10	28	1
27	11	13	2
28	11	29	1
29	12	14	2
30	13	14	1
31	13	30	1
32	14	31	1
33	16	33	1
34	16	34	1
35	16	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1