@<TRIPOS>MOLECULE
71741532
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.9161    -1.2643    -0.1349	O.2	1	noname	-0.2921
2	N1     1.3092    -2.8833     0.3271	N.3	1	noname	-0.3104
3	C1    -0.1267    -2.6032     0.1318	C.3	1	noname	0.0678
4	C2    -0.6796    -1.2260     0.0267	C.2	1	noname	0.1000
5	C3    -0.0038     0.0496     0.0853	C.2	1	noname	-0.0201
6	C4    -0.9453    -3.4053     1.1455	C.3	1	noname	-0.0423
7	C5     1.4028     0.1886     0.2668	C.2	1	noname	-0.0233
8	C6     2.0846     1.4244     0.3272	C.2	1	noname	-0.0455
9	C7    -0.7447     1.2652    -0.0407	C.2	1	noname	-0.0267
10	C8     1.3003     2.5972     0.1965	C.2	1	noname	-0.0453
11	C9    -0.0936     2.5196     0.0152	C.2	1	noname	-0.0499
12	C10     1.5197    -4.3288     0.3889	C.3	1	noname	-0.0157
13	C11     3.5517     1.4971     0.5182	C.3	1	noname	-0.0011
14	H1    -0.4208    -3.0852    -0.8005	H	1	noname	0.0547
15	H2    -2.0057    -3.1984     1.0012	H	1	noname	0.0251
16	H3    -0.7599    -4.4697     1.0013	H	1	noname	0.0251
17	H4    -0.6534    -3.1193     2.1559	H	1	noname	0.0251
18	H5     1.8414    -2.4946    -0.4540	H	1	noname	0.1226
19	H6     1.9806    -0.6358     0.3622	H	1	noname	0.0632
20	H7    -1.7807     1.2601    -0.1767	H	1	noname	0.0630
21	H8     1.7446     3.5316     0.2328	H	1	noname	0.0625
22	H9    -0.6534     3.3845    -0.0788	H	1	noname	0.0622
23	H10     2.5801    -4.5357     0.5331	H	1	noname	0.0391
24	H11     0.9521    -4.7433     1.2220	H	1	noname	0.0391
25	H12     1.1839    -4.7850    -0.5423	H	1	noname	0.0391
26	H13     3.8191     1.0227     1.4625	H	1	noname	0.0279
27	H14     3.8646     2.5411     0.5347	H	1	noname	0.0279
28	H15     4.0509     0.9811    -0.3019	H	1	noname	0.0279
@<TRIPOS>BOND
1	1	4	2
2	2	3	1
3	2	12	1
4	2	18	1
5	3	4	1
6	3	6	1
7	3	14	1
8	4	5	1
9	5	7	1
10	5	9	2
11	6	15	1
12	6	16	1
13	6	17	1
14	7	8	2
15	7	19	1
16	8	10	1
17	8	13	1
18	9	11	1
19	9	20	1
20	10	11	2
21	10	21	1
22	11	22	1
23	12	23	1
24	12	24	1
25	12	25	1
26	13	26	1
27	13	27	1
28	13	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1