@<TRIPOS>MOLECULE
DB02971
25 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.4638    -1.0247     0.3520	O.2	1	noname	-0.2496
2	C1     3.2700    -1.3625     0.5045	C.2	1	noname	0.1437
3	O2     2.9001    -2.0577     1.6011	O.3	1	noname	-0.2140
4	C2     2.2758    -1.0054    -0.5032	C.3	1	noname	0.0934
5	N1     1.6709    -2.2217    -1.0436	N.3	1	noname	-0.3193
6	C3     1.1906    -0.1369     0.1364	C.3	1	noname	-0.0047
7	C4     0.1487     0.2374    -0.9197	C.3	1	noname	0.0487
8	O3    -0.8584     1.0435    -0.3261	O.3	1	noname	-0.3799
9	C5    -1.8254     1.3909    -1.3062	C.3	1	noname	0.0589
10	C6    -2.9106     2.2594    -0.6666	C.3	1	noname	0.0160
11	N2    -3.9062     2.6171    -1.6757	N.3	1	noname	-0.3282
12	H1     2.9614    -2.9984     1.4194	H	1	noname	0.2213
13	H2     2.7864    -0.4880    -1.3155	H	1	noname	0.0572
14	H3     0.6788    -2.2524    -1.2302	H	1	noname	0.1191
15	H4     2.2451    -3.0314    -1.2302	H	1	noname	0.1191
16	H5     0.6826    -0.7596     0.8728	H	1	noname	0.0311
17	H6     1.6720     0.7907     0.4461	H	1	noname	0.0311
18	H7     0.6323     0.8746    -1.6601	H	1	noname	0.0567
19	H8    -0.3571    -0.6757    -1.2335	H	1	noname	0.0567
20	H9    -1.2930     1.9995    -2.0371	H	1	noname	0.0579
21	H10    -2.2823     0.4492    -1.6104	H	1	noname	0.0579
22	H11    -3.4335     1.6453     0.0666	H	1	noname	0.0449
23	H12    -2.4441     3.1956    -0.3600	H	1	noname	0.0449
24	H13    -3.9543     3.5638    -2.0243	H	1	noname	0.1185
25	H14    -4.5458     1.9174    -2.0243	H	1	noname	0.1185
@<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	1
10	10	11	1
11	3	12	1
12	4	13	1
13	5	14	1
14	5	15	1
15	6	16	1
16	6	17	1
17	7	18	1
18	7	19	1
19	9	20	1
20	9	21	1
21	10	22	1
22	10	23	1
23	11	24	1
24	11	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1