@<TRIPOS>MOLECULE
71772237
36 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.4286    -1.8626     0.6136	O.2	1	noname	-0.2700
2	N1    -0.7959    -0.1623     2.8162	N.3	1	noname	-0.3065
3	N2    -0.7722    -0.8539    -0.5283	N.3	1	noname	-0.1362
4	C1    -1.7580     0.0191     1.7162	C.3	1	noname	0.0789
5	C2    -0.9388    -1.5071     3.3717	C.3	1	noname	-0.0044
6	C3     0.0608    -1.6956     4.5146	C.3	1	noname	-0.0435
7	C4    -1.6085    -0.9270     0.5748	C.2	1	noname	0.1376
8	C5    -1.6777     1.4573     1.2004	C.3	1	noname	-0.0412
9	C6     0.2040     0.0816    -0.8171	C.2	1	noname	-0.0245
10	C7    -0.0887    -3.1029     5.0960	C.3	1	noname	-0.0642
11	C8     0.9545     0.6375     0.2325	C.2	1	noname	-0.0418
12	C9     1.8162     1.7439     0.0471	C.2	1	noname	-0.0520
13	C10     0.5146     0.4792    -2.1444	C.2	1	noname	-0.0453
14	C11     2.1050     2.1488    -1.2715	C.2	1	noname	-0.0672
15	C12     1.4723     1.4971    -2.3699	C.2	1	noname	-0.0565
16	C13     2.4125     2.4083     1.2270	C.3	1	noname	-0.0011
17	H1    -2.7259    -0.1787     2.1769	H	1	noname	0.0559
18	H2    -1.9525    -1.6380     3.7504	H	1	noname	0.0428
19	H3    -0.7438    -2.2445     2.5931	H	1	noname	0.0428
20	H4    -0.9788     0.5291     3.5462	H	1	noname	0.1229
21	H5    -0.1343    -0.9582     5.2932	H	1	noname	0.0277
22	H6     1.0745    -1.5647     4.1359	H	1	noname	0.0277
23	H7    -2.3898     1.5916     0.3862	H	1	noname	0.0251
24	H8    -1.9166     2.1474     2.0096	H	1	noname	0.0251
25	H9    -0.6694     1.6575     0.8379	H	1	noname	0.0251
26	H10    -0.9174    -1.5482    -1.1946	H	1	noname	0.1371
27	H11     0.6234    -3.2372     5.9102	H	1	noname	0.0231
28	H12    -1.1024    -3.2338     5.4746	H	1	noname	0.0231
29	H13     0.1063    -3.8403     4.3173	H	1	noname	0.0231
30	H14     0.8968     0.2000     1.1536	H	1	noname	0.0642
31	H15     0.0462     0.0248    -2.9585	H	1	noname	0.0639
32	H16     2.7944     2.8960    -1.4540	H	1	noname	0.0625
33	H17     1.7190     1.7771    -3.3308	H	1	noname	0.0623
34	H18     2.1036     3.4533     1.2504	H	1	noname	0.0279
35	H19     2.0740     1.9089     2.1349	H	1	noname	0.0279
36	H20     3.4993     2.3520     1.1650	H	1	noname	0.0279
@<TRIPOS>BOND
1	1	7	2
2	2	4	1
3	2	5	1
4	2	20	1
5	3	7	1
6	3	9	1
7	3	26	1
8	4	7	1
9	4	8	1
10	4	17	1
11	5	6	1
12	5	18	1
13	5	19	1
14	6	10	1
15	6	21	1
16	6	22	1
17	8	23	1
18	8	24	1
19	8	25	1
20	9	11	1
21	9	13	2
22	10	27	1
23	10	28	1
24	10	29	1
25	11	12	2
26	11	30	1
27	12	14	1
28	12	16	1
29	13	15	1
30	13	31	1
31	14	15	2
32	14	32	1
33	15	33	1
34	16	34	1
35	16	35	1
36	16	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1