@<TRIPOS>MOLECULE
71586827
40 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.3401    -2.2030     0.9787	O.2	1	noname	-0.2984
2	N1     0.0565    -0.0081     1.2746	N.3	1	noname	-0.3029
3	N2     4.4090    -4.7823     1.8542	N.3	1	noname	-0.3029
4	C1     1.0863     0.2763     0.2591	C.3	1	noname	0.0162
5	C2     3.2890    -3.8878     1.4902	C.3	1	noname	0.0162
6	C3     1.0255     1.7924     0.1388	C.3	1	noname	-0.0359
7	C4     2.8269    -4.5557     0.1763	C.3	1	noname	-0.0359
8	C5     2.5043    -0.1389     0.6675	C.3	1	noname	0.0217
9	C6     3.7099    -2.4101     1.3124	C.3	1	noname	0.0217
10	C7    -0.4309     2.1610     0.4417	C.3	1	noname	-0.0389
11	C8     2.8018    -6.0413     0.4985	C.3	1	noname	-0.0389
12	C9    -1.0715     0.8723     0.9650	C.3	1	noname	-0.0017
13	C10     3.9556    -6.1565     1.5156	C.3	1	noname	-0.0017
14	C11     2.4450    -1.6184     0.9848	C.2	1	noname	0.1347
15	C12     0.5778     0.3161     2.6015	C.3	1	noname	-0.0130
16	C13     4.6577    -4.6915     3.2920	C.3	1	noname	-0.0130
17	H1     0.8304    -0.1811    -0.7028	H	1	noname	0.0471
18	H2     2.5164    -3.9381     2.2747	H	1	noname	0.0471
19	H3     1.2698     2.0859    -0.8822	H	1	noname	0.0283
20	H4     1.6707     2.2363     0.8969	H	1	noname	0.0283
21	H5     1.8190    -4.2196    -0.0673	H	1	noname	0.0283
22	H6     3.5652    -4.3678    -0.6033	H	1	noname	0.0283
23	H7     2.8017     0.4124     1.5595	H	1	noname	0.0362
24	H8     3.2608     0.0649    -0.0904	H	1	noname	0.0362
25	H9     4.1392    -2.0401     2.2435	H	1	noname	0.0362
26	H10     4.4684    -2.2591     0.5444	H	1	noname	0.0362
27	H11    -0.9277     2.4658    -0.4794	H	1	noname	0.0280
28	H12    -0.4450     2.9662     1.1763	H	1	noname	0.0280
29	H13     1.8602    -6.2911     0.9874	H	1	noname	0.0280
30	H14     2.9225    -6.6814    -0.3754	H	1	noname	0.0280
31	H15    -1.6781     0.4229     0.1787	H	1	noname	0.0430
32	H16    -1.6989     1.0748     1.8330	H	1	noname	0.0430
33	H17     3.5970    -6.6532     2.4172	H	1	noname	0.0430
34	H18     4.8129    -6.7130     1.1368	H	1	noname	0.0430
35	H19    -0.1837     0.1057     3.3524	H	1	noname	0.0394
36	H20     0.8434     1.3725     2.6394	H	1	noname	0.0394
37	H21     1.4624    -0.2884     2.8019	H	1	noname	0.0394
38	H22     5.4832    -5.3508     3.5603	H	1	noname	0.0394
39	H23     3.7617    -4.9917     3.8354	H	1	noname	0.0394
40	H24     4.9135    -3.6645     3.5524	H	1	noname	0.0394
@<TRIPOS>BOND
1	1	14	2
2	2	4	1
3	2	12	1
4	2	15	1
5	3	5	1
6	3	13	1
7	3	16	1
8	4	6	1
9	4	8	1
10	4	17	1
11	5	7	1
12	5	9	1
13	5	18	1
14	6	10	1
15	6	19	1
16	6	20	1
17	7	11	1
18	7	21	1
19	7	22	1
20	8	14	1
21	8	23	1
22	8	24	1
23	9	14	1
24	9	25	1
25	9	26	1
26	10	12	1
27	10	27	1
28	10	28	1
29	11	13	1
30	11	29	1
31	11	30	1
32	12	31	1
33	12	32	1
34	13	33	1
35	13	34	1
36	15	35	1
37	15	36	1
38	15	37	1
39	16	38	1
40	16	39	1
41	16	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1