@<TRIPOS>MOLECULE

36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	C1     1.4453     0.0094    -0.1324	C.3	1	noname	0.0424
2	O1     0.0165     0.1962    -0.0787	O.3	1	noname	-0.2654
3	C2    -0.4071     0.7725     1.0913	C.2	1	noname	0.0453
4	C3    -0.6395    -0.0253     2.2338	C.2	1	noname	0.0600
5	C4    -1.0216     0.5814     3.4451	C.2	1	noname	0.0378
6	C5    -1.2355     1.9686     3.5072	C.2	1	noname	0.0462
7	C6    -1.0804     2.7793     2.3481	C.2	1	noname	-0.0127
8	C7    -0.6375     2.1632     1.1494	C.2	1	noname	0.0264
9	C8    -1.4065     4.1568     2.4708	C.2	1	noname	0.0373
10	N1    -1.7853     4.6256     3.6917	N.2	1	noname	-0.2423
11	C9    -1.8785     3.8427     4.7910	C.2	1	noname	0.0406
12	N2    -1.6126     2.5217     4.6871	N.2	1	noname	-0.2520
13	N3    -1.3909     4.9725     1.3737	N.3	1	noname	0.0050
14	C10    -2.0412     6.1572     1.1666	C.2	1	noname	-0.0212
15	C11    -2.3141     7.1413     2.1493	C.2	1	noname	-0.0245
16	C12    -3.0196     8.3153     1.8173	C.2	1	noname	-0.0144
17	C13    -3.4485     8.5265     0.4938	C.2	1	noname	-0.0490
18	C14    -3.1710     7.5649    -0.4918	C.2	1	noname	-0.0527
19	C15    -2.4645     6.3964    -0.1594	C.2	1	noname	-0.0540
20	Cl1    -3.3459     9.4748     3.0063	Cl	1	noname	-0.0837
21	O2    -0.4659    -1.3819     2.1866	O.3	1	noname	-0.2629
22	C16    -1.6941    -2.0948     1.9541	C.3	1	noname	0.0424
23	H1     1.8433    -0.0426     0.8810	H	1	noname	0.0535
24	H2     1.6710    -0.9176    -0.6594	H	1	noname	0.0535
25	H3     1.9016     0.8474    -0.6594	H	1	noname	0.0535
26	H4    -1.1527    -0.0265     4.3402	H	1	noname	0.0674
27	H5    -0.4714     2.7685     0.2583	H	1	noname	0.0659
28	H6    -2.1651     4.2721     5.7510	H	1	noname	0.1062
29	H7    -0.8168     4.6543     0.6061	H	1	noname	0.1357
30	H8    -1.9764     6.9930     3.1750	H	1	noname	0.0655
31	H9    -3.9945     9.4331     0.2327	H	1	noname	0.0638
32	H10    -3.5047     7.7258    -1.5169	H	1	noname	0.0623
33	H11    -2.2423     5.6675    -0.9388	H	1	noname	0.0639
34	H12    -2.1479    -2.3581     2.9095	H	1	noname	0.0535
35	H13    -2.3792    -1.4633     1.3883	H	1	noname	0.0535
36	H14    -1.4857    -3.0028     1.3883	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	3	4	2
4	4	5	1
5	5	6	2
6	6	7	1
7	7	8	2
8	3	8	1
9	7	9	1
10	9	10	2
11	10	11	1
12	11	12	2
13	6	12	1
14	9	13	1
15	13	14	1
16	14	15	2
17	15	16	1
18	16	17	2
19	17	18	1
20	18	19	2
21	14	19	1
22	16	20	1
23	4	21	1
24	21	22	1
25	1	23	1
26	1	24	1
27	1	25	1
28	5	26	1
29	8	27	1
30	11	28	1
31	13	29	1
32	15	30	1
33	17	31	1
34	18	32	1
35	19	33	1
36	22	34	1
37	22	35	1
38	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1