@<TRIPOS>MOLECULE
DB01019
28 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.4979    -0.5133     2.3838	O.2	1	noname	-0.2543
2	C1     0.6878    -0.0727     1.5400	C.2	1	noname	0.0451
3	O2     1.0054    -0.0865     0.2279	O.3	1	noname	-0.1954
4	N1    -0.4959     0.4133     1.9377	N.3	1	noname	-0.0480
5	C2     0.0851     0.4140    -0.7307	C.3	1	noname	0.1134
6	C3    -0.2837    -0.6992    -1.7133	C.3	1	noname	0.0170
7	C4     0.7245     1.5762    -1.4932	C.3	1	noname	-0.0316
8	N2    -0.8946    -1.8098    -0.9847	N.4	1	noname	0.0081
9	C5    -1.2470    -2.8735    -1.9237	C.3	1	noname	-0.0214
10	C6    -2.1007    -1.3412    -0.3041	C.3	1	noname	-0.0214
11	C7     0.0529    -2.3251     0.0023	C.3	1	noname	-0.0214
12	H1    -0.6098     1.4056     2.0876	H	1	noname	0.1295
13	H2    -1.2743    -0.2127     2.0876	H	1	noname	0.1295
14	H3    -0.7820     0.7428    -0.1579	H	1	noname	0.0676
15	H4    -1.0588    -0.3111    -2.3741	H	1	noname	0.0968
16	H5     0.6442    -1.0891    -2.1318	H	1	noname	0.0968
17	H6     1.1232     2.3009    -0.7833	H	1	noname	0.0259
18	H7     1.5327     1.1988    -2.1197	H	1	noname	0.0259
19	H8    -0.0268     2.0568    -2.1197	H	1	noname	0.0259
20	H9    -1.5421    -3.7644    -1.3693	H	1	noname	0.0902
21	H10    -2.0756    -2.5448    -2.5509	H	1	noname	0.0902
22	H11    -0.3860    -3.1045    -2.5509	H	1	noname	0.0902
23	H12    -1.9545    -1.3980     0.7746	H	1	noname	0.0902
24	H13    -2.3012    -0.3086    -0.5897	H	1	noname	0.0902
25	H14    -2.9457    -1.9678    -0.5897	H	1	noname	0.0902
26	H15    -0.3211    -2.1217     1.0057	H	1	noname	0.0902
27	H16     0.1679    -3.4007    -0.1315	H	1	noname	0.0902
28	H17     1.0183    -1.8370    -0.1315	H	1	noname	0.0902
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	5	3	1
5	5	6	1
6	5	7	1
7	6	8	1
8	8	9	1
9	8	10	1
10	8	11	1
11	4	12	1
12	4	13	1
13	5	14	1
14	6	15	1
15	6	16	1
16	7	17	1
17	7	18	1
18	7	19	1
19	9	20	1
20	9	21	1
21	9	22	1
22	10	23	1
23	10	24	1
24	10	25	1
25	11	26	1
26	11	27	1
27	11	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1