@<TRIPOS>MOLECULE
DB04237
28 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.0111     2.2304    -1.7840	O.3	1	noname	-0.3962
2	C1    -1.7378     1.4574    -0.6246	C.3	1	noname	0.0449
3	C2    -0.2656     1.0410    -0.6246	C.3	1	noname	-0.0115
4	C3     0.0289     0.2082     0.6246	C.3	1	noname	0.0220
5	N1    -0.8152    -0.9855     0.6246	N.3	1	noname	-0.3248
6	C4     1.5011    -0.2082     0.6246	C.3	1	noname	-0.0115
7	C5    -0.2656     1.0410     1.8739	C.3	1	noname	-0.0115
8	C6     1.7956    -1.0410    -0.6246	C.3	1	noname	0.0449
9	C7     0.0289     0.2082     3.1231	C.3	1	noname	0.0449
10	O2     3.1620    -1.4275    -0.6246	O.3	1	noname	-0.3962
11	O3    -0.2444     0.9812     4.2825	O.3	1	noname	-0.3962
12	H1    -2.1857     1.6453    -2.5249	H	1	noname	0.2100
13	H2    -1.8984     2.1302     0.2179	H	1	noname	0.0564
14	H3    -2.3434     0.5569    -0.7261	H	1	noname	0.0564
15	H4    -0.1247     0.3829    -1.4820	H	1	noname	0.0309
16	H5     0.3203     1.9561    -0.5380	H	1	noname	0.0309
17	H6    -1.8209    -0.8928     0.6246	H	1	noname	0.1189
18	H7    -0.3926    -1.9028     0.6246	H	1	noname	0.1189
19	H8     2.0870     0.7069     0.5380	H	1	noname	0.0309
20	H9     1.6420    -0.8664     1.4820	H	1	noname	0.0309
21	H10     0.4427     1.8695     1.8739	H	1	noname	0.0309
22	H11    -1.3372     1.2402     1.8739	H	1	noname	0.0309
23	H12     1.2305    -1.9703    -0.5518	H	1	noname	0.0564
24	H13     1.6755    -0.3970    -1.4958	H	1	noname	0.0564
25	H14    -0.6797    -0.6196     3.1518	H	1	noname	0.0564
26	H15     1.1003     0.0097     3.1518	H	1	noname	0.0564
27	H16     3.4699    -1.5146     0.2805	H	1	noname	0.2100
28	H17    -0.4190     0.3961     5.0233	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	3	4	1
4	4	5	1
5	4	6	1
6	4	7	1
7	6	8	1
8	7	9	1
9	8	10	1
10	9	11	1
11	1	12	1
12	2	13	1
13	2	14	1
14	3	15	1
15	3	16	1
16	5	17	1
17	5	18	1
18	6	19	1
19	6	20	1
20	7	21	1
21	7	22	1
22	8	23	1
23	8	24	1
24	9	25	1
25	9	26	1
26	10	27	1
27	11	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1