@<TRIPOS>MOLECULE
DB02420
24 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.8003    -3.8332    -0.0318	O.2	1	noname	-0.2256
2	C1    -2.0981    -2.6772     0.3389	C.2	1	noname	0.1746
3	O2    -3.3293    -2.4221     0.8305	O.3	1	noname	-0.1950
4	C2    -1.1616    -1.6543     0.2450	C.2	1	noname	0.1857
5	O3    -1.4595    -0.4983     0.6157	O.2	1	noname	-0.2376
6	N1     0.0604    -1.9075    -0.2429	N.3	1	noname	-0.1165
7	C3     0.9632    -0.9214    -0.3335	C.2	1	noname	-0.0210
8	C4     0.9342     0.1327     0.5721	C.2	1	noname	-0.0318
9	C5     1.9286    -0.9526    -1.3330	C.2	1	noname	-0.0318
10	C6     1.8707     1.1556     0.4781	C.2	1	noname	-0.0452
11	C7     2.8651     0.0702    -1.4270	C.2	1	noname	-0.0452
12	C8     2.8362     1.1244    -0.5214	C.2	1	noname	-0.0472
13	C9     3.8198     2.1988    -0.6200	C.3	1	noname	0.0178
14	N2     3.3035     3.2538    -1.4906	N.3	1	noname	-0.3265
15	H1    -3.2984    -2.4285     1.7900	H	1	noname	0.2218
16	H2     0.3010    -2.8415    -0.5425	H	1	noname	0.1376
17	H3     0.1772     0.1572     1.3559	H	1	noname	0.0639
18	H4     1.9514    -1.7793    -2.0432	H	1	noname	0.0639
19	H5     1.8480     1.9822     1.1883	H	1	noname	0.0626
20	H6     3.6222     0.0457    -2.2108	H	1	noname	0.0626
21	H7     3.9145     2.6306     0.3763	H	1	noname	0.0476
22	H8     4.6943     1.7795    -1.1176	H	1	noname	0.0476
23	H9     3.9108     4.0027    -1.7913	H	1	noname	0.1187
24	H10     2.3395     3.2337    -1.7913	H	1	noname	0.1187
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	6	7	1
7	7	8	2
8	7	9	1
9	8	10	1
10	9	11	2
11	10	12	2
12	11	12	1
13	12	13	1
14	13	14	1
15	3	15	1
16	6	16	1
17	8	17	1
18	9	18	1
19	10	19	1
20	11	20	1
21	13	21	1
22	13	22	1
23	14	23	1
24	14	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1
