@<TRIPOS>MOLECULE
DB07363
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -1.6478    -1.7927     0.0320	S	1	noname	-0.0897
2	O1    -1.2077    -1.7251     1.5584	O.2	1	noname	-0.1924
3	O2    -2.8728    -2.7945    -0.1225	O.2	1	noname	-0.1924
4	N1    -2.1212    -0.2149    -0.5028	N.3	1	noname	0.0068
5	C1    -0.3207    -2.3524    -0.9265	C.2	1	noname	0.1174
6	C2    -3.1076    -0.3392    -1.5746	C.3	1	noname	0.0385
7	S2    -0.2152    -2.6261    -2.6722	S.3	1	noname	-0.0822
8	C3     0.9741    -2.7173    -0.5423	C.2	1	noname	0.0662
9	C4    -3.5068     0.9909    -2.0254	C.2	1	noname	-0.0570
10	C5     1.4426    -3.1930    -2.9060	C.2	1	noname	0.1177
11	C6     1.8593    -3.1431    -1.5639	C.2	1	noname	0.0659
12	C7    -3.3017     1.3671    -3.3477	C.2	1	noname	-0.0548
13	C8    -4.0918     1.8809    -1.1323	C.2	1	noname	-0.0548
14	S3     2.2890    -3.6629    -4.3398	S	1	noname	-0.0941
15	C9    -3.6817     2.6334    -3.7769	C.2	1	noname	-0.0643
16	C10    -4.4717     3.1472    -1.5615	C.2	1	noname	-0.0643
17	O3     1.2410    -4.0400    -5.4744	O.2	1	noname	-0.1937
18	O4     3.2058    -4.9232    -4.0250	O.2	1	noname	-0.1937
19	N2     3.2794    -2.3495    -4.8821	N.3	1	noname	-0.0056
20	C11    -4.2667     3.5235    -2.8838	C.2	1	noname	-0.0587
21	C12    -4.6658     4.8536    -3.3346	C.3	1	noname	-0.0023
22	H1    -1.8423     0.7109    -0.2106	H	1	noname	0.1446
23	H2    -2.6023    -0.8170    -2.4140	H	1	noname	0.0492
24	H3    -3.9924    -0.8012    -1.1366	H	1	noname	0.0492
25	H4     1.2787    -2.6720     0.5033	H	1	noname	0.0648
26	H5     2.8784    -3.4374    -1.3131	H	1	noname	0.0648
27	H6    -2.8430     0.6692    -4.0481	H	1	noname	0.0626
28	H7    -4.2526     1.5859    -0.0954	H	1	noname	0.0626
29	H8    -3.5209     2.9285    -4.8138	H	1	noname	0.0625
30	H9    -4.9305     3.8452    -0.8611	H	1	noname	0.0625
31	H10     4.2666    -2.4933    -5.0403	H	1	noname	0.1404
32	H11     2.8698    -1.4400    -5.0403	H	1	noname	0.1404
33	H12    -4.8563     5.4885    -2.4693	H	1	noname	0.0279
34	H13    -3.8671     5.2884    -3.9355	H	1	noname	0.0279
35	H14    -5.5720     4.7768    -3.9355	H	1	noname	0.0279
@<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	1
7	5	8	2
8	6	9	1
9	7	10	1
10	8	11	1
11	9	12	2
12	9	13	1
13	10	14	1
14	10	11	2
15	12	15	1
16	13	16	2
17	14	17	2
18	14	18	2
19	14	19	1
20	15	20	2
21	16	20	1
22	20	21	1
23	4	22	1
24	6	23	1
25	6	24	1
26	8	25	1
27	11	26	1
28	12	27	1
29	13	28	1
30	15	29	1
31	16	30	1
32	19	31	1
33	19	32	1
34	21	33	1
35	21	34	1
36	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1