@<TRIPOS>MOLECULE
DB01010
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.0767    -1.1980    -0.5353	O.3	1	noname	-0.2821
2	C1     0.3529     0.0463    -0.2357	C.2	1	noname	0.0217
3	C2     1.6825     0.2582     0.1098	C.2	1	noname	0.0207
4	C3    -0.5345     1.1156    -0.2728	C.2	1	noname	-0.0219
5	C4     2.1247     1.5393     0.4182	C.2	1	noname	0.0193
6	C5    -0.0922     2.3967     0.0356	C.2	1	noname	-0.0286
7	N1     3.4562     1.7515     0.7642	N.4	1	noname	0.0369
8	C6     1.2374     2.6086     0.3811	C.2	1	noname	-0.0192
9	C7     4.2332     2.0377    -0.4407	C.3	1	noname	-0.0081
10	C8     3.9877     0.5544     1.4138	C.3	1	noname	-0.0160
11	C9     3.5463     2.8852     1.6829	C.3	1	noname	-0.0160
12	C10     4.1389     0.8513    -1.4022	C.3	1	noname	-0.0157
13	H1    -0.2440    -1.6828     0.2762	H	1	noname	0.2181
14	H2     2.3783    -0.5803     0.1389	H	1	noname	0.0721
15	H3    -1.5771     0.9494    -0.5438	H	1	noname	0.0650
16	H4    -0.7880     3.2353     0.0065	H	1	noname	0.0626
17	H5     1.5842     3.6133     0.6230	H	1	noname	0.0694
18	H6     3.7449     2.8873    -0.9181	H	1	noname	0.0942
19	H7     5.2710     2.1169    -0.1170	H	1	noname	0.0942
20	H8     3.9345     0.6743     2.4959	H	1	noname	0.0907
21	H9     3.3989    -0.3129     1.1150	H	1	noname	0.0907
22	H10     5.0258     0.4093     1.1150	H	1	noname	0.0907
23	H11     3.5176     2.5232     2.7106	H	1	noname	0.0907
24	H12     4.4815     3.4184     1.5115	H	1	noname	0.0907
25	H13     2.7071     3.5593     1.5115	H	1	noname	0.0907
26	H14     4.0654    -0.0742    -0.8310	H	1	noname	0.0296
27	H15     3.2550     0.9619    -2.0302	H	1	noname	0.0296
28	H16     5.0293     0.8209    -2.0302	H	1	noname	0.0296
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	1
7	5	8	2
8	6	8	1
9	7	9	1
10	7	10	1
11	7	11	1
12	9	12	1
13	1	13	1
14	3	14	1
15	4	15	1
16	6	16	1
17	8	17	1
18	9	18	1
19	9	19	1
20	10	20	1
21	10	21	1
22	10	22	1
23	11	23	1
24	11	24	1
25	11	25	1
26	12	26	1
27	12	27	1
28	12	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1