@<TRIPOS>MOLECULE
DB01299
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.9851    -1.6103    -0.1819	S	1	noname	-0.0954
2	O1     0.0863    -2.7198     0.2771	O.2	1	noname	-0.1945
3	O2    -2.2967    -2.3456    -0.7788	O.2	1	noname	-0.1945
4	N1    -1.4554    -0.7142     1.2060	N.3	1	noname	0.1174
5	C1    -0.1523    -0.8201    -1.5313	C.2	1	noname	-0.0163
6	C2    -1.7805    -1.1996     2.4423	C.2	1	noname	0.0865
7	C3     0.6362     0.3572    -1.3330	C.2	1	noname	0.0114
8	C4    -0.1998    -1.5190    -2.7835	C.2	1	noname	0.0114
9	N2    -2.1388    -0.2264     3.3341	N.2	1	noname	-0.2182
10	C5    -1.7818    -2.5561     2.8693	C.2	1	noname	0.0981
11	C6     1.4411     0.8264    -2.4112	C.2	1	noname	-0.0446
12	C7     0.6006    -1.0581    -3.8629	C.2	1	noname	-0.0446
13	C8    -2.4956    -0.4468     4.6210	C.2	1	noname	0.0476
14	O3    -1.3278    -3.6103     2.1297	O.3	1	noname	-0.2464
15	C9    -2.1448    -2.7681     4.2121	C.2	1	noname	0.1013
16	C10     1.4176     0.0905    -3.6376	C.2	1	noname	-0.0035
17	N3    -2.4849    -1.7369     5.0299	N.2	1	noname	-0.2044
18	C11    -2.3331    -4.4022     1.4890	C.3	1	noname	0.0426
19	O4    -2.1962    -4.0056     4.7382	O.3	1	noname	-0.2310
20	N4     2.1680     0.5403    -4.6531	N.3	1	noname	-0.1510
21	C12    -0.9297    -4.3398     5.2866	C.3	1	noname	0.0441
22	H1    -1.5603     0.2843     1.3156	H	1	noname	0.1523
23	H2     0.6239     0.8859    -0.3799	H	1	noname	0.0639
24	H3    -0.8386    -2.3926    -2.9137	H	1	noname	0.0639
25	H4     2.0554     1.7201    -2.3013	H	1	noname	0.0639
26	H5     0.5884    -1.5663    -4.8271	H	1	noname	0.0639
27	H6    -2.7753     0.3675     5.2894	H	1	noname	0.1063
28	H7    -2.9497    -4.8879     2.2453	H	1	noname	0.0535
29	H8    -2.9583    -3.7617     0.8669	H	1	noname	0.0535
30	H9    -1.8569    -5.1600     0.8669	H	1	noname	0.0535
31	H10     1.7473     0.7097    -5.5556	H	1	noname	0.1242
32	H11     3.1542     0.7097    -4.5159	H	1	noname	0.1242
33	H12    -0.9894    -4.3240     6.3748	H	1	noname	0.0535
34	H13    -0.6409    -5.3364     4.9529	H	1	noname	0.0535
35	H14    -0.1868    -3.6154     4.9529	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	4	6	1
6	5	7	2
7	5	8	1
8	6	9	2
9	6	10	1
10	7	11	1
11	8	12	2
12	9	13	1
13	10	14	1
14	10	15	2
15	11	16	2
16	12	16	1
17	13	17	2
18	14	18	1
19	15	19	1
20	15	17	1
21	16	20	1
22	19	21	1
23	4	22	1
24	7	23	1
25	8	24	1
26	11	25	1
27	12	26	1
28	13	27	1
29	18	28	1
30	18	29	1
31	18	30	1
32	20	31	1
33	20	32	1
34	21	33	1
35	21	34	1
36	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1