@<TRIPOS>MOLECULE
DB04419
22 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.9440    -2.4245     0.3520	O.2	1	noname	-0.2496
2	C1     1.8646    -1.1863     0.5045	C.2	1	noname	0.1437
3	O2     2.3967    -0.6058     1.6011	O.3	1	noname	-0.2140
4	C2     1.1965    -0.3680    -0.5032	C.3	1	noname	0.0912
5	N1     2.1416     0.6077    -1.0436	N.3	1	noname	-0.3194
6	C3     0.0159     0.3656     0.1364	C.3	1	noname	-0.0283
7	C4    -0.6843     1.2231    -0.9197	C.3	1	noname	-0.0515
8	C5    -1.8648     1.9567    -0.2801	C.3	1	noname	-0.0561
9	C6    -2.5650     2.8143    -1.3361	C.3	1	noname	-0.0654
10	H1     2.6928    -1.2854     2.2111	H	1	noname	0.2213
11	H2     0.8789    -1.0218    -1.3155	H	1	noname	0.0571
12	H3     3.0964     0.3362    -1.2302	H	1	noname	0.1191
13	H4     1.8398     1.5533    -1.2302	H	1	noname	0.1191
14	H5    -0.6982    -0.3974     0.4461	H	1	noname	0.0288
15	H6     0.4337     1.0521     0.8728	H	1	noname	0.0288
16	H7     0.0298     1.9861    -1.2294	H	1	noname	0.0267
17	H8    -1.1020     0.5366    -1.6561	H	1	noname	0.0267
18	H9    -2.5789     1.1937     0.0297	H	1	noname	0.0264
19	H10    -1.4471     2.6432     0.4563	H	1	noname	0.0264
20	H11    -3.1799     3.5673    -0.8433	H	1	noname	0.0230
21	H12    -1.8176     3.3061    -1.9587	H	1	noname	0.0230
22	H13    -3.1964     2.1803    -1.9587	H	1	noname	0.0230
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	6	7	1
7	7	8	1
8	8	9	1
9	3	10	1
10	4	11	1
11	5	12	1
12	5	13	1
13	6	14	1
14	6	15	1
15	7	16	1
16	7	17	1
17	8	18	1
18	8	19	1
19	9	20	1
20	9	21	1
21	9	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1