@<TRIPOS>MOLECULE
118984348
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.6754     2.2515     1.6494	O.3	1	noname	-0.2601
2	O2    -0.7282     0.7330     1.8672	O.3	1	noname	-0.2630
3	N1     2.0135     4.1037    -0.5083	N.3	1	noname	-0.2476
4	N2     2.3045     3.1780    -1.5570	N.3	1	noname	-0.2606
5	C1     0.7291     2.2916     0.5563	C.3	1	noname	0.1023
6	C2     0.6887     3.7327    -0.0166	C.3	1	noname	0.0424
7	C3    -0.6908     1.8698     0.9811	C.3	1	noname	0.0816
8	C4     2.0016     5.5018    -1.0068	C.3	1	noname	0.0381
9	C5     1.6220     1.1256     2.4327	C.2	1	noname	0.0256
10	C6     0.4150     0.3956     2.5638	C.2	1	noname	0.0258
11	C7     3.3591     5.8993    -1.4248	C.2	1	noname	-0.0481
12	C8     2.7637     0.7374     3.1651	C.2	1	noname	-0.0219
13	C9     0.3651    -0.7198     3.4223	C.2	1	noname	-0.0221
14	C10     3.5336     7.1708    -2.0063	C.2	1	noname	-0.0528
15	C11     4.4990     5.0805    -1.2222	C.2	1	noname	-0.0528
16	C12     2.6963    -0.3626     4.0400	C.2	1	noname	-0.0635
17	C13     1.4992    -1.0913     4.1666	C.2	1	noname	-0.0633
18	C14     4.8133     7.5608    -2.4395	C.2	1	noname	-0.0594
19	C15     5.7287     5.3974    -1.7894	C.2	1	noname	-0.0594
20	C16     5.8980     6.6660    -2.3546	C.2	1	noname	-0.0613
21	H1     1.0657     1.5939    -0.2217	H	1	noname	0.0647
22	H2    -0.0339     3.7964    -0.8466	H	1	noname	0.0473
23	H3     0.3612     4.4306     0.7687	H	1	noname	0.0473
24	H4    -1.2685     1.6320     0.0812	H	1	noname	0.0600
25	H5    -1.1657     2.7165     1.4755	H	1	noname	0.0600
26	H6     1.2972     5.5851    -1.8483	H	1	noname	0.0496
27	H7     1.6688     6.2006    -0.2171	H	1	noname	0.0496
28	H8     3.6394     1.2632     3.0773	H	1	noname	0.0651
29	H9     3.1827     3.4296    -2.0352	H	1	noname	0.1375
30	H10     1.5374     3.1760    -2.2323	H	1	noname	0.1375
31	H11    -0.5019    -1.2581     3.5134	H	1	noname	0.0651
32	H12     2.7508     7.8377    -2.0832	H	1	noname	0.0626
33	H13     4.4157     4.1929    -0.7073	H	1	noname	0.0626
34	H14     3.5166    -0.6314     4.5931	H	1	noname	0.0623
35	H15     1.4532    -1.8906     4.8062	H	1	noname	0.0623
36	H16     4.9660     8.4870    -2.8259	H	1	noname	0.0622
37	H17     6.4874     4.7193    -1.7073	H	1	noname	0.0622
38	H18     6.8278     6.9270    -2.6479	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	5	1
2	1	9	1
3	2	7	1
4	2	10	1
5	3	4	1
6	3	6	1
7	3	8	1
8	4	29	1
9	4	30	1
10	5	6	1
11	5	7	1
12	5	21	1
13	6	22	1
14	6	23	1
15	7	24	1
16	7	25	1
17	8	11	1
18	8	26	1
19	8	27	1
20	9	10	1
21	9	12	2
22	10	13	2
23	11	14	2
24	11	15	1
25	12	16	1
26	12	28	1
27	13	17	1
28	13	31	1
29	14	18	1
30	14	32	1
31	15	19	2
32	15	33	1
33	16	17	2
34	16	34	1
35	17	35	1
36	18	20	2
37	18	36	1
38	19	20	1
39	19	37	1
40	20	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1