@<TRIPOS>MOLECULE
DB01124
36 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.9228    -1.6410    -0.0546	S	1	noname	-0.0820
2	O1     0.0044    -2.6867     0.7035	O.2	1	noname	-0.1922
3	O2    -2.1734    -2.3976    -0.6803	O.2	1	noname	-0.1922
4	N1    -1.4586    -0.4770     1.0318	N.3	1	noname	0.1275
5	C1    -0.0191    -0.8785    -1.3176	C.2	1	noname	0.0090
6	C2    -1.7927    -0.8294     2.2807	C.2	1	noname	0.0228
7	C3     0.6886     0.2893    -1.0581	C.2	1	noname	0.0122
8	C4    -0.0008    -1.4338    -2.5917	C.2	1	noname	0.0122
9	O3    -2.1913     0.0366     3.0891	O.2	1	noname	-0.2804
10	N2    -1.6993    -2.1103     2.6631	N.3	1	noname	-0.0621
11	C5     1.4147     0.9020    -2.0728	C.2	1	noname	-0.0416
12	C6     0.7253    -0.8211    -3.6064	C.2	1	noname	-0.0416
13	C7    -2.0508    -2.4812     3.9772	C.3	1	noname	0.0040
14	C8     1.4330     0.3467    -3.3470	C.2	1	noname	-0.0258
15	C9    -1.8542    -3.9885     4.1516	C.3	1	noname	-0.0404
16	C10     2.1956     0.9902    -4.4128	C.3	1	noname	0.0026
17	C11    -2.2356    -4.3909     5.5776	C.3	1	noname	-0.0549
18	C12    -2.0391    -5.8982     5.7520	C.3	1	noname	-0.0653
19	H1    -1.5911     0.5186     0.9251	H	1	noname	0.1550
20	H2     0.6742     0.7248    -0.0590	H	1	noname	0.0639
21	H3    -0.5558    -2.3496    -2.7952	H	1	noname	0.0639
22	H4    -1.3729    -2.7781     1.9793	H	1	noname	0.1323
23	H5     1.9697     1.8178    -1.8694	H	1	noname	0.0625
24	H6     0.7396    -1.2565    -4.6056	H	1	noname	0.0625
25	H7    -1.3371    -1.9686     4.6223	H	1	noname	0.0433
26	H8    -3.1157    -2.2653     4.0629	H	1	noname	0.0433
27	H9    -2.5653    -4.4776     3.4858	H	1	noname	0.0279
28	H10    -0.7867    -4.1810     4.0452	H	1	noname	0.0279
29	H11     2.6490     0.2278    -5.0464	H	1	noname	0.0279
30	H12     1.5299     1.6116    -5.0117	H	1	noname	0.0279
31	H13     2.9774     1.6116    -3.9760	H	1	noname	0.0279
32	H14    -1.5246    -3.9018     6.2434	H	1	noname	0.0264
33	H15    -3.3032    -4.1984     5.6840	H	1	noname	0.0264
34	H16    -2.0076    -6.1400     6.8144	H	1	noname	0.0230
35	H17    -2.8674    -6.4293     5.2829	H	1	noname	0.0230
36	H18    -1.1023    -6.1991     5.2829	H	1	noname	0.0230
@<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	10	13	1
13	11	14	2
14	12	14	1
15	13	15	1
16	14	16	1
17	15	17	1
18	17	18	1
19	4	19	1
20	7	20	1
21	8	21	1
22	10	22	1
23	11	23	1
24	12	24	1
25	13	25	1
26	13	26	1
27	15	27	1
28	15	28	1
29	16	29	1
30	16	30	1
31	16	31	1
32	17	32	1
33	17	33	1
34	18	34	1
35	18	35	1
36	18	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1