@<TRIPOS>MOLECULE
DB00968
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.7601    -3.2549     0.0276	O.2	1	noname	-0.2484
2	C1    -2.8420    -2.1874     0.6728	C.2	1	noname	0.1454
3	O2    -4.0284    -1.7981     1.1859	O.3	1	noname	-0.2131
4	C2    -1.6544    -1.3616     0.8714	C.3	1	noname	0.1036
5	N1    -0.6401    -2.1315     1.5896	N.3	1	noname	-0.3168
6	C3    -1.0999    -0.9305    -0.4879	C.3	1	noname	-0.0002
7	C4    -2.0261    -0.1217     1.6871	C.3	1	noname	-0.0371
8	C5     0.0876    -0.1047    -0.2892	C.2	1	noname	-0.0573
9	C6     1.3434    -0.6971    -0.2256	C.2	1	noname	-0.0197
10	C7    -0.0376     1.2740    -0.1638	C.2	1	noname	-0.0598
11	C8     2.4740     0.0891    -0.0365	C.2	1	noname	0.0231
12	C9     1.0930     2.0602     0.0253	C.2	1	noname	-0.0232
13	O3     3.6937    -0.4863     0.0253	O.3	1	noname	-0.2761
14	C10     2.3488     1.4677     0.0889	C.2	1	noname	0.0219
15	O4     3.4469     2.2313     0.2726	O.3	1	noname	-0.2763
16	H1    -3.9828    -1.8130     2.1447	H	1	noname	0.2213
17	H2    -0.8185    -3.0941     1.8376	H	1	noname	0.1194
18	H3     0.2391    -1.7006     1.8376	H	1	noname	0.1194
19	H4    -0.7582    -1.8278    -1.0037	H	1	noname	0.0340
20	H5    -1.8411    -0.2821    -0.9552	H	1	noname	0.0340
21	H6    -1.9570    -0.3521     2.7503	H	1	noname	0.0255
22	H7    -1.3404     0.6907     1.4462	H	1	noname	0.0255
23	H8    -3.0455     0.1796     1.4462	H	1	noname	0.0255
24	H9     1.4416    -1.7782    -0.3240	H	1	noname	0.0653
25	H10    -1.0224     1.7386    -0.2137	H	1	noname	0.0626
26	H11     0.9948     3.1413     0.1237	H	1	noname	0.0651
27	H12     3.9453    -0.6050     0.9441	H	1	noname	0.2183
28	H13     3.6061     2.3420     1.2128	H	1	noname	0.2183
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	4	7	1
7	6	8	1
8	8	9	2
9	8	10	1
10	9	11	1
11	10	12	2
12	11	13	1
13	11	14	2
14	12	14	1
15	14	15	1
16	3	16	1
17	5	17	1
18	5	18	1
19	6	19	1
20	6	20	1
21	7	21	1
22	7	22	1
23	7	23	1
24	9	24	1
25	10	25	1
26	12	26	1
27	13	27	1
28	15	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1