@<TRIPOS>MOLECULE
DB03068
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.6060    -0.2875    -2.0649	O.2	1	noname	-0.2504
2	C1     0.7711     0.3983    -1.0329	C.2	1	noname	0.0961
3	N1     1.3827     1.6236    -1.0883	N.2	1	noname	-0.1641
4	N2     0.3439    -0.0533     0.1971	N.3	1	noname	0.0529
5	C2     1.5814     2.4018     0.0301	C.2	1	noname	0.0319
6	C3     0.5148     0.7231     1.3385	C.2	1	noname	-0.0599
7	C4    -0.3128    -1.3362     0.2069	C.3	1	noname	0.1514
8	C5     1.1555     1.9895     1.3212	C.2	1	noname	-0.0138
9	O2    -1.7207    -1.1611     0.0235	O.3	1	noname	-0.3509
10	C6    -0.1700    -2.2707     1.4305	C.3	1	noname	0.1230
11	C7    -2.1875    -2.4990     0.2082	C.3	1	noname	0.1114
12	O3     0.9785    -3.0899     1.2690	O.3	1	noname	-0.3860
13	C8    -1.4223    -3.1354     1.3744	C.3	1	noname	0.1123
14	C9    -3.6830    -2.4774     0.5307	C.3	1	noname	0.0722
15	O4    -1.0634    -4.4667     1.0348	O.3	1	noname	-0.3873
16	O5    -4.3900    -1.8733    -0.5424	O.3	1	noname	-0.3934
17	H1     2.0837     3.3592    -0.1087	H	1	noname	0.0841
18	H2     0.1336     0.3253     2.2790	H	1	noname	0.0758
19	H3     0.1952    -1.7732    -0.6528	H	1	noname	0.0816
20	H4     1.3066     2.5908     2.2177	H	1	noname	0.0649
21	H5    -0.0066    -1.7734     2.3865	H	1	noname	0.0671
22	H6    -1.9979    -3.0194    -0.7306	H	1	noname	0.0656
23	H7     1.3211    -3.3343     2.1318	H	1	noname	0.2107
24	H8    -1.9688    -3.2452     2.3111	H	1	noname	0.0657
25	H9    -4.0354    -3.5082     0.5674	H	1	noname	0.0591
26	H10    -3.8345    -1.8189     1.3860	H	1	noname	0.0591
27	H11    -0.9262    -4.9757     1.8370	H	1	noname	0.2106
28	H12    -4.7611    -2.5563    -1.1058	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	6	8	2
9	7	9	1
10	7	10	1
11	9	11	1
12	10	12	1
13	10	13	1
14	11	14	1
15	11	13	1
16	13	15	1
17	14	16	1
18	5	17	1
19	6	18	1
20	7	19	1
21	8	20	1
22	10	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