@<TRIPOS>MOLECULE
118796496
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.6597    -1.4759    -0.3277	O.2	1	noname	-0.2700
2	N1     2.1135     0.7820    -0.1703	N.3	1	noname	-0.1005
3	N2     0.2025     2.2008     0.0247	N.2	1	noname	-0.2068
4	C1     3.4911     0.5380    -0.2656	C.2	1	noname	-0.0182
5	C2     1.5480     2.0443    -0.0536	C.2	1	noname	0.0555
6	C3    -0.1266    -0.1390     0.0503	C.2	1	noname	0.0286
7	C4     1.2611    -0.2956    -0.1586	C.2	1	noname	0.1100
8	C5     5.7951     1.0781     0.4086	C.2	1	noname	-0.0480
9	C6     4.3983     1.1595     0.6193	C.2	1	noname	-0.0314
10	C7    -0.6566     1.1742     0.0967	C.2	1	noname	0.0434
11	C8     6.6925     2.0270     1.1225	C.3	1	noname	0.0050
12	C9     4.0300    -0.3861    -1.2105	C.2	1	noname	-0.0357
13	C10     6.2945     0.1184    -0.5099	C.2	1	noname	-0.0592
14	C11     5.4129    -0.6716    -1.2625	C.2	1	noname	-0.0535
15	C12    -1.0050    -1.2315     0.2652	C.2	1	noname	-0.0007
16	C13     2.1541     3.3862    -0.0021	C.3	1	noname	-0.0107
17	C14    -2.0421     1.3979     0.2846	C.2	1	noname	-0.0053
18	C15     7.0113     3.2550     0.2575	C.3	1	noname	-0.0613
19	C16    -2.3142    -0.9922     0.7075	C.2	1	noname	-0.0435
20	C17    -2.8507     0.3047     0.6469	C.2	1	noname	-0.0272
21	H1     4.0037     1.6934     1.3992	H	1	noname	0.0642
22	H2     6.2533     2.4312     2.0360	H	1	noname	0.0313
23	H3     7.6470     1.5755     1.3992	H	1	noname	0.0313
24	H4     3.4222    -0.8772    -1.8721	H	1	noname	0.0639
25	H5     7.3055     0.0225    -0.6687	H	1	noname	0.0625
26	H6     5.7801    -1.3689    -1.9130	H	1	noname	0.0623
27	H7    -0.6839    -2.1937     0.1603	H	1	noname	0.0631
28	H8     3.1813     3.4604    -0.3174	H	1	noname	0.0306
29	H9     1.5456     4.0821    -0.5797	H	1	noname	0.0306
30	H10     2.0491     3.7484     1.0205	H	1	noname	0.0306
31	H11    -2.4503     2.3282     0.1925	H	1	noname	0.0645
32	H12     7.6686     3.9272     0.8091	H	1	noname	0.0234
33	H13     6.0859     3.7745     0.0090	H	1	noname	0.0234
34	H14     7.5058     2.9348    -0.6596	H	1	noname	0.0234
35	H15    -2.8735    -1.7746     1.0840	H	1	noname	0.0622
36	H16    -3.8375     0.4566     0.8917	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	7	2
2	2	4	1
3	2	5	1
4	2	7	1
5	3	5	2
6	3	10	1
7	4	9	1
8	4	12	2
9	5	16	1
10	6	7	1
11	6	10	1
12	6	15	2
13	8	9	2
14	8	11	1
15	8	13	1
16	9	21	1
17	10	17	2
18	11	18	1
19	11	22	1
20	11	23	1
21	12	14	1
22	12	24	1
23	13	14	2
24	13	25	1
25	14	26	1
26	15	19	1
27	15	27	1
28	16	28	1
29	16	29	1
30	16	30	1
31	17	20	1
32	17	31	1
33	18	32	1
34	18	33	1
35	18	34	1
36	19	20	2
37	19	35	1
38	20	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1