@<TRIPOS>MOLECULE
71586847
27 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.3175     3.9611     0.5147	O.2	1	noname	-0.3012
2	N1     1.4552     0.1738    -0.2036	N.3	1	noname	-0.0376
3	N2    -1.7625    -1.1763     0.6713	N.3	1	noname	-0.1589
4	C1    -0.1662     0.9668     1.0906	C.2	1	noname	-0.0186
5	C2    -1.4539     1.0673     1.8119	C.3	1	noname	-0.0126
6	C3     0.2456    -0.0617     0.2832	C.2	1	noname	-0.0809
7	C4     0.8683     1.8662     1.0787	C.2	1	noname	-0.0216
8	C5    -2.3440    -0.1805     1.5454	C.3	1	noname	0.0039
9	C6    -0.5524    -1.1216     0.0807	C.2	1	noname	-0.1140
10	C7     1.8381     1.3403     0.2745	C.2	1	noname	-0.0543
11	C8     1.0085     3.0889     1.7146	C.2	1	noname	-0.0133
12	C9     2.9934     2.0023     0.0626	C.2	1	noname	0.0364
13	C10    -0.1188    -2.1927    -0.7617	C.3	1	noname	-0.0281
14	C11     2.1456     3.7838     1.5312	C.2	1	noname	0.0282
15	C12     3.2606     3.3160     0.6858	C.2	1	noname	0.0734
16	H1    -1.9814     1.9652     1.4902	H	1	noname	0.0330
17	H2    -1.2902     1.2408     2.8754	H	1	noname	0.0330
18	H3    -3.3058     0.1383     1.1438	H	1	noname	0.0435
19	H4    -2.6726    -0.6040     2.4945	H	1	noname	0.0435
20	H5     1.9616    -0.4020    -0.7977	H	1	noname	0.1342
21	H6    -1.8971    -2.0585     1.0516	H	1	noname	0.1278
22	H7     0.2869     3.4439     2.2920	H	1	noname	0.0630
23	H8     3.6801     1.5984    -0.5251	H	1	noname	0.0680
24	H9    -0.8133    -2.3041    -1.5943	H	1	noname	0.0290
25	H10    -0.0894    -3.1182    -0.1867	H	1	noname	0.0290
26	H11     0.8770    -1.9721    -1.1463	H	1	noname	0.0290
27	H12     2.2394     4.6569     1.9885	H	1	noname	0.0663
@<TRIPOS>BOND
1	1	15	2
2	2	6	1
3	2	10	1
4	2	20	1
5	3	8	1
6	3	9	1
7	3	21	1
8	4	5	1
9	4	6	1
10	4	7	2
11	5	8	1
12	5	16	1
13	5	17	1
14	6	9	2
15	7	10	1
16	7	11	1
17	8	18	1
18	8	19	1
19	9	13	1
20	10	12	2
21	11	14	2
22	11	22	1
23	12	15	1
24	12	23	1
25	13	24	1
26	13	25	1
27	13	26	1
28	14	15	1
29	14	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1