@<TRIPOS>MOLECULE
DB01994
28 30 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.7527    -2.9969     1.1210	O.3	1	noname	-0.3949
2	C1     1.5413    -3.3510     0.4701	C.3	1	noname	0.0561
3	C2     0.6789    -2.1012     0.2827	C.3	1	noname	0.0248
4	N1    -0.5239    -2.4527    -0.3636	N.3	1	noname	-0.0905
5	C3    -1.2793    -1.3581    -0.5278	C.2	1	noname	0.0869
6	N2    -1.7033    -0.6178     0.5455	N.2	1	noname	-0.2175
7	C4    -1.6700    -0.9216    -1.8146	C.2	1	noname	0.0557
8	C5    -2.4789     0.5100     0.4458	C.2	1	noname	0.0598
9	N3    -1.3993    -1.3931    -3.0435	N.2	1	noname	-0.2025
10	C6    -2.4741     0.2273    -1.9017	C.2	1	noname	0.0071
11	N4    -2.8748     0.9324    -0.7946	N.2	1	noname	-0.2302
12	C7    -2.0417    -0.5655    -3.8949	C.2	1	noname	-0.0089
13	N5    -2.6838     0.4527    -3.2118	N.3	1	noname	0.0200
14	C8    -2.0997    -0.6600    -5.3197	C.2	1	noname	-0.0037
15	C9    -3.3915     1.4744    -3.8164	C.2	1	noname	-0.0869
16	C10    -2.8417     0.3747    -5.9627	C.2	1	noname	-0.0368
17	C11    -3.4699     1.4296    -5.2398	C.2	1	noname	-0.0498
18	H1     2.6274    -3.0335     2.0721	H	1	noname	0.2100
19	H2     1.8353    -3.7094    -0.5164	H	1	noname	0.0576
20	H3     1.0243    -4.0175     1.1604	H	1	noname	0.0576
21	H4     0.3825    -1.7419     1.2682	H	1	noname	0.0456
22	H5     1.1935    -1.4338    -0.4087	H	1	noname	0.0456
23	H6    -0.8084    -3.3721    -0.6701	H	1	noname	0.1297
24	H7    -2.7759     1.0615     1.3378	H	1	noname	0.1062
25	H8    -1.6137    -1.4622    -5.8751	H	1	noname	0.0659
26	H9    -3.8536     2.2574    -3.2152	H	1	noname	0.0796
27	H10    -2.9322     0.3585    -7.0488	H	1	noname	0.0624
28	H11    -4.0131     2.2062    -5.7784	H	1	noname	0.0636
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	3	4	1
4	4	5	1
5	5	6	2
6	5	7	1
7	6	8	1
8	7	9	1
9	7	10	2
10	8	11	2
11	9	12	2
12	10	13	1
13	10	11	1
14	12	14	1
15	12	13	1
16	13	15	1
17	14	16	2
18	15	17	2
19	16	17	1
20	1	18	1
21	2	19	1
22	2	20	1
23	3	21	1
24	3	22	1
25	4	23	1
26	8	24	1
27	14	25	1
28	15	26	1
29	16	27	1
30	17	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1