@<TRIPOS>MOLECULE
71586890
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.5244     4.1768    -2.1490	O.3	1	noname	-0.2793
2	N1    -1.8811     0.0306     1.7765	N.3	1	noname	-0.1538
3	N2     1.2988     0.7144     0.3458	N.2	1	noname	-0.2259
4	C1    -0.7274     1.3324    -0.3124	C.2	1	noname	0.0151
5	C2    -2.1926     1.4540    -0.2903	C.3	1	noname	-0.0121
6	C3     0.0295     0.6531     0.6052	C.2	1	noname	0.0079
7	C4     0.1594     2.0277    -1.0602	C.2	1	noname	0.0051
8	C5    -2.8317     0.6801     0.8995	C.3	1	noname	0.0039
9	C6    -0.5429     0.0296     1.6481	C.2	1	noname	-0.0834
10	C7     1.4398     1.6109    -0.6002	C.2	1	noname	0.0231
11	C8    -0.0264     3.1362    -1.9450	C.2	1	noname	-0.0190
12	C9     2.6275     2.2748    -1.0054	C.2	1	noname	0.0216
13	C10     2.4436     3.4427    -1.8090	C.2	1	noname	-0.0235
14	C11     0.2695    -0.6340     2.6199	C.3	1	noname	-0.0275
15	C12     1.1560     3.8594    -2.2643	C.2	1	noname	-0.0142
16	C13     4.9753     6.0037    -1.5468	C.3	1	noname	-0.0293
17	C14     3.7505     5.1717    -1.1614	C.3	1	noname	0.0534
18	C15     5.2190     7.0757    -0.4827	C.3	1	noname	-0.0539
19	C16     6.4438     7.9077    -0.8680	C.3	1	noname	-0.0653
20	H1    -2.6024     1.0804    -1.2288	H	1	noname	0.0330
21	H2    -2.4217     2.5188    -0.2489	H	1	noname	0.0330
22	H3    -3.5359    -0.0584     0.5162	H	1	noname	0.0435
23	H4    -3.4541     1.3603     1.4809	H	1	noname	0.0435
24	H5    -2.1173     0.2112     2.6998	H	1	noname	0.1278
25	H6    -0.9406     3.3897    -2.3198	H	1	noname	0.0630
26	H7     3.5536     1.9396    -0.7399	H	1	noname	0.0673
27	H8     0.0079    -1.6917     2.6511	H	1	noname	0.0290
28	H9     0.1000    -0.1887     3.6003	H	1	noname	0.0290
29	H10     1.3200    -0.5274     2.3492	H	1	noname	0.0290
30	H11     1.0819     4.7010    -2.8358	H	1	noname	0.0650
31	H12     4.8012     6.4817    -2.5108	H	1	noname	0.0290
32	H13     5.8484     5.3548    -1.6154	H	1	noname	0.0290
33	H14     2.8774     5.8207    -1.0928	H	1	noname	0.0571
34	H15     3.9247     4.6938    -0.1974	H	1	noname	0.0571
35	H16     4.3459     7.7247    -0.4140	H	1	noname	0.0264
36	H17     5.3932     6.5978     0.4814	H	1	noname	0.0264
37	H18     6.6175     8.6714    -0.1099	H	1	noname	0.0230
38	H19     6.2697     8.3857    -1.8320	H	1	noname	0.0230
39	H20     7.3169     7.2588    -0.9367	H	1	noname	0.0230
@<TRIPOS>BOND
1	1	13	1
2	1	17	1
3	2	8	1
4	2	9	1
5	2	24	1
6	3	6	1
7	3	10	2
8	4	5	1
9	4	6	1
10	4	7	2
11	5	8	1
12	5	20	1
13	5	21	1
14	6	9	2
15	7	10	1
16	7	11	1
17	8	22	1
18	8	23	1
19	9	14	1
20	10	12	1
21	11	15	2
22	11	25	1
23	12	13	2
24	12	26	1
25	13	15	1
26	14	27	1
27	14	28	1
28	14	29	1
29	15	30	1
30	16	17	1
31	16	18	1
32	16	31	1
33	16	32	1
34	17	33	1
35	17	34	1
36	18	19	1
37	18	35	1
38	18	36	1
39	19	37	1
40	19	38	1
41	19	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1