@<TRIPOS>MOLECULE
DB00927
35 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -2.8810    -5.3342     3.5860	S	1	noname	-0.0545
2	O1    -3.2540    -5.5916     5.1101	O.2	1	noname	-0.1668
3	O2    -1.4280    -5.9087     3.2916	O.2	1	noname	-0.1668
4	N1    -3.9759    -6.0899     2.6185	N.2	1	noname	-0.1043
5	N2    -2.9049    -3.6323     3.2653	N.3	1	noname	0.0194
6	C1    -4.2083    -5.6418     1.4476	C.2	1	noname	-0.0091
7	N3    -3.5752    -4.5796     1.0152	N.3	1	noname	-0.1291
8	C2    -5.1601    -6.2988     0.6065	C.3	1	noname	0.0102
9	C3    -5.2489    -5.5651    -0.7331	C.3	1	noname	0.0002
10	S2    -6.4469    -6.3920    -1.7919	S.3	1	noname	-0.1550
11	C4    -6.5513    -5.5288    -3.3680	C.3	1	noname	0.0368
12	C5    -7.5231    -6.1995    -4.2267	C.2	1	noname	0.0534
13	N4    -8.8299    -6.3146    -3.8246	N.2	1	noname	-0.1792
14	C6    -7.1196    -6.7279    -5.4664	C.2	1	noname	0.0622
15	C7    -9.7361    -6.9377    -4.6207	C.2	1	noname	0.1263
16	S3    -8.6859    -7.3681    -5.9784	S.3	1	noname	-0.1422
17	N5   -11.0097    -7.1555    -4.4380	N.2	1	noname	-0.1804
18	C8   -11.6854    -7.7698    -5.3277	C.2	1	noname	-0.1167
19	N6   -12.9640    -7.9886    -5.1443	N.3	1	noname	-0.1291
20	N7   -11.1012    -8.1823    -6.4253	N.3	1	noname	-0.1291
21	H1    -2.0372    -3.1238     3.1718	H	1	noname	0.1419
22	H2    -3.7864    -3.1484     3.1718	H	1	noname	0.1419
23	H3    -2.5798    -4.6179     0.8485	H	1	noname	0.1255
24	H4    -4.0825    -3.7223     0.8485	H	1	noname	0.1255
25	H5    -4.7498    -7.2911     0.4191	H	1	noname	0.0351
26	H6    -6.1201    -6.1924     1.1116	H	1	noname	0.0351
27	H7    -5.6216    -4.5762    -0.4660	H	1	noname	0.0384
28	H8    -4.2513    -5.6749    -1.1585	H	1	noname	0.0384
29	H9    -6.9880    -4.5401    -3.2272	H	1	noname	0.0446
30	H10    -5.6177    -5.6387    -3.9197	H	1	noname	0.0446
31	H11    -6.0986    -6.6698    -5.8437	H	1	noname	0.0760
32	H12   -13.6043    -7.2107    -5.0736	H	1	noname	0.1267
33	H13   -13.3093    -8.9350    -5.0736	H	1	noname	0.1267
34	H14   -11.6481    -8.3413    -7.2594	H	1	noname	0.1267
35	H15   -10.1039    -8.3413    -6.4374	H	1	noname	0.1267
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	4	6	2
6	6	7	1
7	6	8	1
8	8	9	1
9	9	10	1
10	10	11	1
11	11	12	1
12	12	13	1
13	12	14	2
14	13	15	2
15	14	16	1
16	15	17	1
17	15	16	1
18	17	18	2
19	18	19	1
20	18	20	1
21	5	21	1
22	5	22	1
23	7	23	1
24	7	24	1
25	8	25	1
26	8	26	1
27	9	27	1
28	9	28	1
29	11	29	1
30	11	30	1
31	14	31	1
32	19	32	1
33	19	33	1
34	20	34	1
35	20	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1