@<TRIPOS>MOLECULE
66570825
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     5.7084     1.2691     1.2296	O.3	1	noname	-0.3912
2	O2     6.7554     0.5020    -3.1597	O.3	1	noname	-0.3958
3	O3    -1.6023     2.1334     3.5477	O.2	1	noname	-0.2549
4	N1     3.2417     0.6309    -0.5400	N.3	1	noname	-0.2959
5	N2    -0.4888    -0.0344     1.8728	N.3	1	noname	-0.0280
6	N3     1.0824     2.8802     0.6057	N.3	1	noname	0.0627
7	N4    -0.3643     3.6157     2.3212	N.2	1	noname	-0.1712
8	C1     5.5052     0.8101    -1.1232	C.3	1	noname	0.0220
9	C2     5.3250     0.2729     0.2931	C.3	1	noname	0.0730
10	C3     4.1445     0.4379    -1.6785	C.3	1	noname	0.0062
11	C4     3.8716    -0.1257     0.5403	C.3	1	noname	0.0251
12	C5     1.8832     0.1868    -0.9030	C.3	1	noname	0.0254
13	C6     6.5877     0.0018    -1.8414	C.3	1	noname	0.0497
14	C7     0.9527     0.4063     0.2173	C.2	1	noname	-0.0113
15	C8     0.6649     1.6004     0.8535	C.2	1	noname	0.0193
16	C9     0.2311    -0.5923     0.8731	C.2	1	noname	-0.0711
17	C10    -0.2513     1.2863     1.8659	C.2	1	noname	-0.0674
18	C11    -0.7824     2.3436     2.6279	C.2	1	noname	0.1060
19	C12     0.5524     3.9046     1.3396	C.2	1	noname	0.0101
20	H1     5.6770     1.8864    -1.1063	H	1	noname	0.0366
21	H2     5.9359    -0.6163     0.4489	H	1	noname	0.0617
22	H3     3.8759     1.1300    -2.4765	H	1	noname	0.0435
23	H4     4.1141    -0.6060    -1.9907	H	1	noname	0.0435
24	H5     3.5442     0.2716     1.5010	H	1	noname	0.0457
25	H6     3.6985    -1.1940     0.4096	H	1	noname	0.0457
26	H7     1.5399     0.7435    -1.7750	H	1	noname	0.0481
27	H8     1.9016    -0.8748    -1.1495	H	1	noname	0.0481
28	H9     6.2898    -1.0457    -1.8853	H	1	noname	0.0567
29	H10     7.5279     0.0897    -1.2971	H	1	noname	0.0567
30	H11     6.6485     1.5066     1.0874	H	1	noname	0.2105
31	H12     7.4487    -0.0158    -3.6198	H	1	noname	0.2100
32	H13     0.2445    -1.5843     0.6362	H	1	noname	0.0792
33	H14    -1.0737    -0.5058     2.4866	H	1	noname	0.1524
34	H15     1.7446     3.0576    -0.0805	H	1	noname	0.0645
35	H16     0.8333     4.8687     1.1610	H	1	noname	0.0840
@<TRIPOS>BOND
1	9	1	1
2	1	30	1
3	2	13	1
4	2	31	1
5	3	18	2
6	4	10	1
7	4	11	1
8	4	12	1
9	5	16	1
10	5	17	1
11	5	33	1
12	6	15	1
13	6	19	1
14	6	34	1
15	7	18	1
16	7	19	2
17	8	9	1
18	8	10	1
19	8	13	1
20	8	20	1
21	9	11	1
22	9	21	1
23	10	22	1
24	10	23	1
25	11	24	1
26	11	25	1
27	12	14	1
28	12	26	1
29	12	27	1
30	13	28	1
31	13	29	1
32	14	15	1
33	14	16	2
34	15	17	2
35	16	32	1
36	17	18	1
37	19	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1