@<TRIPOS>MOLECULE
DB04648
26 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.0000     0.0000     0.0000	S.3	1	noname	-0.1601
2	C1     1.8000     0.0000     0.0000	C.3	1	noname	0.0108
3	C2    -0.6000     1.6971     0.0000	C.3	1	noname	-0.0055
4	C3     2.3100    -1.4425     0.0000	C.3	1	noname	0.0366
5	C4    -2.1300     1.6971     0.0000	C.3	1	noname	-0.0317
6	N1     3.7720    -1.4425     0.0000	N.3	1	noname	-0.3250
7	C5     1.8000    -2.1637    -1.2492	C.3	1	noname	0.0591
8	C6    -2.6400     3.1396     0.0000	C.3	1	noname	-0.0069
9	O1     2.2733    -3.5025    -1.2492	O.3	1	noname	-0.3946
10	N2    -4.1020     3.1396     0.0000	N.3	1	noname	-0.3304
11	H1     2.1633     0.4062    -0.9440	H	1	noname	0.0397
12	H2     2.1633     0.4062     0.9440	H	1	noname	0.0397
13	H3    -0.3381     2.1750     0.9440	H	1	noname	0.0380
14	H4    -0.3381     2.1750    -0.9440	H	1	noname	0.0380
15	H5     1.9907    -1.9636     0.9025	H	1	noname	0.0495
16	H6    -2.4447     1.2521    -0.9440	H	1	noname	0.0288
17	H7    -2.4447     1.2521     0.9440	H	1	noname	0.0288
18	H8     4.2770    -2.3172     0.0000	H	1	noname	0.1187
19	H9     4.2770    -0.5678     0.0000	H	1	noname	0.1187
20	H10     0.7150    -2.2389    -1.1764	H	1	noname	0.0580
21	H11     2.2565    -1.6939    -2.1204	H	1	noname	0.0580
22	H12    -2.3398     3.5944     0.9440	H	1	noname	0.0425
23	H13    -2.3398     3.5944    -0.9440	H	1	noname	0.0425
24	H14     2.3800    -3.8042    -0.3441	H	1	noname	0.2100
25	H15    -4.6070     4.0142     0.0000	H	1	noname	0.1184
26	H16    -4.6070     2.2649     0.0000	H	1	noname	0.1184
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	1
7	5	8	1
8	7	9	1
9	8	10	1
10	2	11	1
11	2	12	1
12	3	13	1
13	3	14	1
14	4	15	1
15	5	16	1
16	5	17	1
17	6	18	1
18	6	19	1
19	7	20	1
20	7	21	1
21	8	22	1
22	8	23	1
23	9	24	1
24	10	25	1
25	10	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1