@<TRIPOS>MOLECULE
DB01202
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.4354    -1.3774     0.4324	O.2	1	noname	-0.2945
2	C1     0.0441    -0.3056     0.0035	C.2	1	noname	0.0453
3	N1     1.3462    -0.0839    -0.6223	N.3	1	noname	-0.0618
4	C2    -0.5919     1.0832     0.0089	C.3	1	noname	0.0227
5	C3     1.9790    -0.8278    -1.6393	C.3	1	noname	0.0901
6	C4     1.8242     1.1088     0.0782	C.3	1	noname	0.0071
7	C5     0.5965     2.0040     0.2800	C.3	1	noname	-0.0316
8	C6     1.6040    -0.2874    -2.9427	C.2	1	noname	0.0414
9	C7     1.5410    -2.2910    -1.5487	C.3	1	noname	-0.0314
10	O2     2.4841     0.1529    -3.7135	O.2	1	noname	-0.2923
11	N2     0.3163    -0.2633    -3.3127	N.3	1	noname	-0.0851
12	C8     2.2276    -3.0982    -2.6522	C.3	1	noname	-0.0634
13	H1    -0.9604     1.2916    -0.9955	H	1	noname	0.0361
14	H2    -1.2688     1.1430     0.8612	H	1	noname	0.0361
15	H3     3.0511    -0.6952    -1.4941	H	1	noname	0.0568
16	H4     2.1708     0.7798     1.0579	H	1	noname	0.0436
17	H5     2.5094     1.6177    -0.5997	H	1	noname	0.0436
18	H6     0.6087     2.7695    -0.4959	H	1	noname	0.0284
19	H7     0.5614     2.2930     1.3304	H	1	noname	0.0284
20	H8     1.9159    -2.6735    -0.5994	H	1	noname	0.0285
21	H9     0.4721    -2.3132    -1.7613	H	1	noname	0.0285
22	H10    -0.1526     0.6203    -3.4522	H	1	noname	0.1271
23	H11    -0.1853    -1.1288    -3.4522	H	1	noname	0.1271
24	H12     2.1043    -4.1629    -2.4540	H	1	noname	0.0231
25	H13     1.7783    -2.8534    -3.6147	H	1	noname	0.0231
26	H14     3.2895    -2.8534    -2.6743	H	1	noname	0.0231
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	5	3	1
5	3	6	1
6	4	7	1
7	5	8	1
8	5	9	1
9	6	7	1
10	8	10	2
11	8	11	1
12	9	12	1
13	4	13	1
14	4	14	1
15	5	15	1
16	6	16	1
17	6	17	1
18	7	18	1
19	7	19	1
20	9	20	1
21	9	21	1
22	11	22	1
23	11	23	1
24	12	24	1
25	12	25	1
26	12	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1