@<TRIPOS>MOLECULE
DB03539
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.8655     2.0115     0.1468	O.3	1	noname	-0.2148
2	C1     0.5644     2.1000     0.2261	C.2	1	noname	0.0581
3	C2     2.0809     1.7869    -1.2466	C.3	1	noname	0.1002
4	N1    -0.0804     1.9720    -0.8650	N.2	1	noname	-0.1795
5	N2    -0.0284     2.3037     1.3364	N.2	1	noname	-0.1941
6	C3     0.7222     1.7619    -1.9364	C.3	1	noname	0.1101
7	C4     2.7781     0.4394    -1.4442	C.3	1	noname	0.0398
8	C5     0.4880     1.8791     2.4221	C.2	1	noname	0.0209
9	C6     0.4628     0.3640    -2.5016	C.3	1	noname	0.1054
10	C7     1.7491    -0.4773    -2.1923	C.3	1	noname	0.0898
11	C8     4.0197     0.6308    -2.3176	C.3	1	noname	0.0512
12	O2     0.2790     0.4483    -3.9071	O.3	1	noname	-0.3879
13	O3     1.4066    -1.5785    -1.3638	O.3	1	noname	-0.3897
14	O4     4.6667    -0.6198    -2.5010	O.3	1	noname	-0.3957
15	H1     2.7054     2.6044    -1.6069	H	1	noname	0.0638
16	H2     0.5313     2.5100    -2.7058	H	1	noname	0.0608
17	H3     3.1026     0.0227    -0.4907	H	1	noname	0.0381
18	H4     1.5612     1.6976     2.4807	H	1	noname	0.0754
19	H5    -0.1437     1.6976     3.2916	H	1	noname	0.0754
20	H6    -0.4672    -0.0737    -2.1389	H	1	noname	0.0651
21	H7     2.1714    -0.9397    -3.0844	H	1	noname	0.0633
22	H8     3.6901     0.9361    -3.3107	H	1	noname	0.0568
23	H9     4.7292     1.2471    -1.7654	H	1	noname	0.0568
24	H10     0.2306    -0.4362    -4.2771	H	1	noname	0.2106
25	H11     1.4863    -1.3224    -0.4420	H	1	noname	0.2105
26	H12     4.8663    -1.0055    -1.6448	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	2	1
2	3	1	1
3	2	4	2
4	2	5	1
5	3	6	1
6	3	7	1
7	6	4	1
8	5	8	2
9	6	9	1
10	7	10	1
11	7	11	1
12	9	12	1
13	9	10	1
14	10	13	1
15	11	14	1
16	3	15	1
17	6	16	1
18	7	17	1
19	8	18	1
20	8	19	1
21	9	20	1
22	10	21	1
23	11	22	1
24	11	23	1
25	12	24	1
26	13	25	1
27	14	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1