@<TRIPOS>MOLECULE
DB04487
25 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.0597    -2.1460    -0.5472	O.2	1	noname	-0.2496
2	C1     1.8572    -1.2548    -0.1835	C.2	1	noname	0.1438
3	O2     3.1871    -1.4845    -0.2168	O.3	1	noname	-0.2139
4	C2     1.3504     0.0346     0.2771	C.3	1	noname	0.0937
5	N1     1.8711     1.0977    -0.5809	N.3	1	noname	-0.3084
6	C3     1.8031     0.2750     1.7187	C.3	1	noname	-0.0258
7	C4     1.4384     0.8680    -1.9584	C.3	1	noname	-0.0156
8	C5     1.2720     1.6262     2.2015	C.3	1	noname	-0.0451
9	C6     1.7248     1.8666     3.6431	C.3	1	noname	-0.0627
10	C7    -0.2567     1.6245     2.1407	C.3	1	noname	-0.0627
11	H1     3.5243    -1.5427     0.6801	H	1	noname	0.2213
12	H2     0.2641     0.0243     0.1870	H	1	noname	0.0573
13	H3     2.4414     1.8711    -0.2701	H	1	noname	0.1226
14	H4     1.3232    -0.4886     2.3308	H	1	noname	0.0290
15	H5     2.8901     0.3533     1.6982	H	1	noname	0.0290
16	H6     1.3793    -0.2040    -2.1467	H	1	noname	0.0391
17	H7     0.4576     1.3183    -2.1111	H	1	noname	0.0391
18	H8     2.1558     1.3183    -2.6444	H	1	noname	0.0391
19	H9     1.6602     2.4188     1.5618	H	1	noname	0.0298
20	H10     1.8807     0.9088     4.1394	H	1	noname	0.0233
21	H11     2.6572     2.4311     3.6417	H	1	noname	0.0233
22	H12     0.9591     2.4311     4.1751	H	1	noname	0.0233
23	H13    -0.6607     1.6241     3.1531	H	1	noname	0.0233
24	H14    -0.6003     2.5141     1.6128	H	1	noname	0.0233
25	H15    -0.5984     0.7342     1.6128	H	1	noname	0.0233
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	5	7	1
7	6	8	1
8	8	9	1
9	8	10	1
10	3	11	1
11	4	12	1
12	5	13	1
13	6	14	1
14	6	15	1
15	7	16	1
16	7	17	1
17	7	18	1
18	8	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
@<TRIPOS>SUBSTRUCTURE
1	noname	1