@<TRIPOS>MOLECULE
DB03236
28 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.0527    -2.8380     2.3696	O.2	1	noname	-0.2496
2	C1     3.7640    -2.3928     1.2378	C.2	1	noname	0.1437
3	O2     3.8119    -3.2050     0.1605	O.3	1	noname	-0.2140
4	C2     3.3748    -0.9944     1.0809	C.3	1	noname	0.0925
5	N1     4.3098    -0.3269     0.1766	N.3	1	noname	-0.3194
6	C3     1.9618    -0.9204     0.4990	C.3	1	noname	-0.0153
7	C4     1.5540     0.5451     0.3345	C.3	1	noname	0.0047
8	N2     0.2517     0.6132    -0.2017	N.3	1	noname	-0.0801
9	C5    -0.3162     1.8047    -0.4328	C.2	1	noname	0.0378
10	O3    -1.4707     1.8651    -0.9082	O.2	1	noname	-0.2965
11	C6     0.4135     3.0323    -0.1293	C.3	1	noname	0.0335
12	C7    -0.3685     3.8488     0.9017	C.3	1	noname	0.0006
13	N3     0.3621     5.0781     1.2056	N.3	1	noname	-0.3299
14	H1     3.7991    -4.1205     0.4492	H	1	noname	0.2213
15	H2     3.4401    -0.5123     2.0563	H	1	noname	0.0572
16	H3     5.1410    -0.8082    -0.1358	H	1	noname	0.1191
17	H4     4.1245     0.6156    -0.1358	H	1	noname	0.1191
18	H5     2.0112    -1.3476    -0.5026	H	1	noname	0.0301
19	H6     1.2921    -1.3518     1.2430	H	1	noname	0.0301
20	H7     1.4812     0.9908     1.3265	H	1	noname	0.0433
21	H8     2.2002     0.9951    -0.4191	H	1	noname	0.0433
22	H9    -0.2872    -0.2111    -0.4257	H	1	noname	0.1309
23	H10     1.3466     2.7185     0.3385	H	1	noname	0.0374
24	H11     0.4342     3.6056    -1.0561	H	1	noname	0.0374
25	H12    -1.3017     4.1621     0.4336	H	1	noname	0.0430
26	H13    -0.3894     3.2750     1.8282	H	1	noname	0.0430
27	H14     1.3664     5.0558     1.3106	H	1	noname	0.1184
28	H15    -0.1374     5.9496     1.3106	H	1	noname	0.1184
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	6	7	1
7	7	8	1
8	8	9	1
9	9	10	2
10	9	11	1
11	11	12	1
12	12	13	1
13	3	14	1
14	4	15	1
15	5	16	1
16	5	17	1
17	6	18	1
18	6	19	1
19	7	20	1
20	7	21	1
21	8	22	1
22	11	23	1
23	11	24	1
24	12	25	1
25	12	26	1
26	13	27	1
27	13	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1