@<TRIPOS>MOLECULE
DB01978
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.4197    -2.1134    -1.1988	O.3	1	noname	-0.3690
2	C1     0.1861    -1.4935     0.0572	C.3	1	noname	0.1841
3	N1    -1.1471    -1.9362     0.5945	N.3	1	noname	-0.2554
4	C2     0.2040    -0.0231    -0.1075	C.2	1	noname	0.1572
5	C3    -2.3474    -1.3489    -0.1079	C.3	1	noname	0.1167
6	N2     1.2098     0.8557    -0.0966	N.2	1	noname	-0.0489
7	C4    -0.9744     0.6749    -0.3149	C.2	1	noname	0.0322
8	N3    -2.1916     0.0544    -0.3993	N.3	1	noname	-0.0838
9	N4    -2.5914    -2.0805    -1.3499	N.3	1	noname	-0.3032
10	C5     0.6739     2.0808    -0.2737	C.2	1	noname	-0.0110
11	C6     2.5780     0.5580     0.0693	C.3	1	noname	0.1781
12	N5    -0.6671     1.9792    -0.4125	N.3	1	noname	-0.0355
13	C7    -1.5715     3.0407    -0.6203	C.3	1	noname	-0.0512
14	H1     0.4001    -3.0674    -1.0934	H	1	noname	0.2128
15	H2     0.9964    -1.7991     0.7191	H	1	noname	0.0892
16	H3    -1.2301    -2.5794     1.3688	H	1	noname	0.1282
17	H4    -3.2188    -1.4152     0.5435	H	1	noname	0.0817
18	H5    -2.9733     0.6310    -0.6761	H	1	noname	0.1325
19	H6    -3.5339    -2.3332    -1.6104	H	1	noname	0.1212
20	H7    -1.8174    -2.3332    -1.9476	H	1	noname	0.1212
21	H8     1.2392     3.0124    -0.3007	H	1	noname	0.1459
22	H9     2.8124     0.5070     1.1326	H	1	noname	0.0879
23	H10     2.8004    -0.4012    -0.3982	H	1	noname	0.0879
24	H11     3.1789     1.3381    -0.3982	H	1	noname	0.0879
25	H12    -1.9028     3.4295     0.3426	H	1	noname	0.0438
26	H13    -1.0780     3.8339    -1.1820	H	1	noname	0.0438
27	H14    -2.4329     2.6795    -1.1820	H	1	noname	0.0438
@<TRIPOS>BOND
1	2	1	1
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	2
7	5	8	1
8	5	9	1
9	6	10	2
10	6	11	1
11	7	12	1
12	7	8	1
13	10	12	1
14	12	13	1
15	1	14	1
16	2	15	1
17	3	16	1
18	5	17	1
19	8	18	1
20	9	19	1
21	9	20	1
22	10	21	1
23	11	22	1
24	11	23	1
25	11	24	1
26	13	25	1
27	13	26	1
28	13	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1