@<TRIPOS>MOLECULE
119058039
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.7616    -1.9495    -0.1975	O.3	1	noname	-0.2383
2	N1    -0.4185    -2.0953    -1.9365	N.2	1	noname	-0.2202
3	N2    -2.1919    -3.5066    -1.8693	N.3	1	noname	-0.0998
4	C1    -0.5108    -1.3570     0.1819	C.3	1	noname	0.1141
5	C2     0.1671    -1.1224    -1.1709	C.3	1	noname	0.0821
6	C3    -0.6165    -0.2023     1.1364	C.2	1	noname	-0.0500
7	C4     1.6657    -1.4047    -1.0462	C.3	1	noname	-0.0396
8	C5    -1.4644    -2.5426    -1.3617	C.2	1	noname	-0.0530
9	C6    -0.8357     1.1560     0.6806	C.2	1	noname	-0.0502
10	C7    -0.4589    -0.4487     2.5442	C.2	1	noname	-0.0502
11	C8    -0.5842     1.9622     3.0010	C.2	1	noname	-0.0584
12	C9    -0.8053     2.2364     1.6082	C.2	1	noname	-0.0630
13	C10    -0.4297     0.6291     3.4808	C.2	1	noname	-0.0630
14	C11    -0.5162     3.0735     3.9455	C.3	1	noname	-0.0023
15	H1     0.0886    -2.1555     0.6464	H	1	noname	0.0684
16	H2    -0.0333    -0.1420    -1.6031	H	1	noname	0.0580
17	H3     2.1318    -0.6304    -0.4369	H	1	noname	0.0253
18	H4     1.8144    -2.3763    -0.5752	H	1	noname	0.0253
19	H5     2.1185    -1.4084    -2.0377	H	1	noname	0.0253
20	H6    -1.0122     1.3387    -0.3073	H	1	noname	0.0626
21	H7    -0.3665    -1.4078     2.8790	H	1	noname	0.0626
22	H8    -0.9393     3.1951     1.2869	H	1	noname	0.0625
23	H9    -0.3006     0.4478     4.4763	H	1	noname	0.0625
24	H10    -2.9374    -3.6947    -1.2780	H	1	noname	0.1278
25	H11    -2.5284    -3.2348    -2.7375	H	1	noname	0.1278
26	H12    -1.4554     3.6263     3.9244	H	1	noname	0.0279
27	H13    -0.3447     2.6866     4.9500	H	1	noname	0.0279
28	H14     0.3024     3.7373     3.6672	H	1	noname	0.0279
@<TRIPOS>BOND
1	1	4	1
2	1	8	1
3	2	5	1
4	2	8	2
5	3	8	1
6	3	24	1
7	3	25	1
8	4	5	1
9	4	6	1
10	4	15	1
11	5	7	1
12	5	16	1
13	6	9	2
14	6	10	1
15	7	17	1
16	7	18	1
17	7	19	1
18	9	12	1
19	9	20	1
20	10	13	2
21	10	21	1
22	11	12	2
23	11	13	1
24	11	14	1
25	12	22	1
26	13	23	1
27	14	26	1
28	14	27	1
29	14	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1