@<TRIPOS>MOLECULE
DB01262
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.3498     0.8751    -2.0001	O.2	1	noname	-0.2455
2	C1    -2.0239    -0.1892    -2.5688	C.2	1	noname	0.1183
3	N1    -2.3693    -0.3845    -3.8730	N.2	1	noname	-0.1257
4	N2    -1.3223    -1.1438    -1.8667	N.3	1	noname	0.0825
5	C2    -2.0334    -1.5589    -4.4899	C.2	1	noname	0.0143
6	C3    -1.0053    -2.3196    -2.4997	C.2	1	noname	0.0119
7	C4    -0.9345    -1.0183    -0.4903	C.3	1	noname	0.1271
8	N3    -1.3572    -2.5304    -3.7991	N.2	1	noname	-0.2003
9	N4    -2.3665    -1.7595    -5.7723	N.3	1	noname	-0.0954
10	O2    -1.9884    -1.4974     0.3440	O.3	1	noname	-0.3537
11	C5    -0.5536     0.3741     0.0703	C.3	1	noname	0.0167
12	C6    -1.4807    -1.1483     1.6341	C.3	1	noname	0.1087
13	C7    -0.8437     0.2419     1.5581	C.3	1	noname	0.0864
14	C8    -2.6285    -1.1287     2.6456	C.3	1	noname	0.0721
15	O3     0.3787     0.2426     2.2806	O.3	1	noname	-0.3900
16	O4    -3.2288    -2.4142     2.7052	O.3	1	noname	-0.3934
17	H1    -0.4652    -3.0987    -1.9617	H	1	noname	0.0981
18	H2    -0.0594    -1.6679    -0.5057	H	1	noname	0.0788
19	H3    -3.3386    -1.8351    -6.0357	H	1	noname	0.1273
20	H4    -1.6454    -1.8351    -6.4754	H	1	noname	0.1273
21	H5     0.5213     0.5097    -0.0492	H	1	noname	0.0335
22	H6    -1.2448     1.1101    -0.3403	H	1	noname	0.0335
23	H7    -0.7468    -1.9126     1.8896	H	1	noname	0.0655
24	H8    -1.4118     1.0577     2.0052	H	1	noname	0.0629
25	H9    -2.2036    -0.9600     3.6351	H	1	noname	0.0591
26	H10    -3.4032    -0.4634     2.2645	H	1	noname	0.0591
27	H11     0.1936     0.2425     3.2226	H	1	noname	0.2105
28	H12    -3.3480    -2.6695     3.6229	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	4	6	1
6	7	4	1
7	5	8	1
8	5	9	1
9	6	8	2
10	7	10	1
11	7	11	1
12	10	12	1
13	11	13	1
14	12	14	1
15	12	13	1
16	13	15	1
17	14	16	1
18	6	17	1
19	7	18	1
20	9	19	1
21	9	20	1
22	11	21	1
23	11	22	1
24	12	23	1
25	13	24	1
26	14	25	1
27	14	26	1
28	15	27	1
29	16	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1