@<TRIPOS>MOLECULE
DB04316
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.9065    -3.2090     1.0449	O.2	1	noname	-0.2798
2	C1    -3.0201    -3.4857     0.2082	C.2	1	noname	0.0021
3	N1    -1.7556    -3.6747     0.6094	N.3	1	noname	0.0140
4	N2    -3.3343    -3.5934    -1.0900	N.3	1	noname	-0.0525
5	O2    -1.3050    -3.0479     1.6554	O.3	1	noname	-0.3135
6	C2    -2.3344    -3.9055    -2.0338	C.3	1	noname	0.1052
7	C3    -2.2363    -2.8274    -3.0134	C.2	1	noname	0.1442
8	C4    -2.6951    -5.2106    -2.7462	C.3	1	noname	-0.0023
9	O3    -1.1608    -2.2058    -3.1532	O.2	1	noname	-0.2493
10	O4    -3.3071    -2.5017    -3.7683	O.3	1	noname	-0.2137
11	C5    -1.6597    -5.5338    -3.7236	C.2	1	noname	-0.0540
12	C6    -0.5694    -6.3107    -3.3498	C.2	1	noname	-0.0566
13	C7    -1.7643    -5.0646    -5.0278	C.2	1	noname	-0.0566
14	C8     0.4163    -6.6184    -4.2803	C.2	1	noname	-0.0604
15	C9    -0.7786    -5.3722    -5.9583	C.2	1	noname	-0.0604
16	C10     0.3117    -6.1492    -5.5845	C.2	1	noname	-0.0616
17	H1    -1.1331    -4.2986     0.1162	H	1	noname	0.1655
18	H2    -4.2987    -3.4434    -1.3500	H	1	noname	0.1333
19	H3    -1.0214    -3.6865     2.3136	H	1	noname	0.2380
20	H4    -1.3983    -3.9686    -1.4791	H	1	noname	0.0582
21	H5    -2.6671    -6.0091    -2.0047	H	1	noname	0.0337
22	H6    -3.6041    -5.0319    -3.3206	H	1	noname	0.0337
23	H7    -4.0451    -2.2773    -3.1969	H	1	noname	0.2213
24	H8    -0.4874    -6.6787    -2.3271	H	1	noname	0.0625
25	H9    -2.6193    -4.4553    -5.3209	H	1	noname	0.0625
26	H10     1.2714    -7.2276    -3.9872	H	1	noname	0.0622
27	H11    -0.8606    -5.0043    -6.9810	H	1	noname	0.0622
28	H12     1.0847    -6.3904    -6.3142	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	6	4	1
6	6	7	1
7	6	8	1
8	7	9	2
9	7	10	1
10	8	11	1
11	11	12	2
12	11	13	1
13	12	14	1
14	13	15	2
15	14	16	2
16	15	16	1
17	3	17	1
18	4	18	1
19	5	19	1
20	6	20	1
21	8	21	1
22	8	22	1
23	10	23	1
24	12	24	1
25	13	25	1
26	14	26	1
27	15	27	1
28	16	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1