@<TRIPOS>MOLECULE
DB02896
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -3.9323     0.4731    -2.3725	S.3	1	noname	-0.0635
2	C1    -3.1212     1.9440    -2.7865	C.2	1	noname	0.0789
3	C2    -3.1634    -0.2457    -0.9124	C.3	1	noname	-0.0121
4	N1    -2.0594     2.4090    -2.0482	N.2	1	noname	-0.2276
5	C3    -3.5219     2.7185    -3.8981	C.2	1	noname	0.0651
6	C4    -1.3769     3.5694    -2.3210	C.2	1	noname	0.0568
7	N2    -4.4715     2.5547    -4.8301	N.2	1	noname	-0.2115
8	C5    -2.8327     3.8995    -4.1437	C.2	1	noname	0.1246
9	N3    -1.7756     4.3309    -3.3791	N.2	1	noname	-0.2114
10	C6    -4.3974     3.6332    -5.6447	C.2	1	noname	-0.0345
11	N4    -3.4113     4.4551    -5.2189	N.3	1	noname	0.0225
12	C7    -3.1305     5.7196    -5.7933	C.3	1	noname	0.1590
13	O1    -3.3258     6.7527    -4.8395	O.3	1	noname	-0.3483
14	C8    -1.6974     5.8930    -6.2876	C.3	1	noname	0.1258
15	C9    -2.8343     7.8886    -5.5280	C.3	1	noname	0.1117
16	O2    -1.5924     5.4028    -7.6162	O.3	1	noname	-0.3857
17	C10    -1.5959     7.4179    -6.2977	C.3	1	noname	0.1126
18	C11    -2.4283     8.9621    -4.5162	C.3	1	noname	0.0722
19	O3    -1.6634     7.8879    -7.6360	O.3	1	noname	-0.3873
20	O4    -3.5580     9.3316    -3.7393	O.3	1	noname	-0.3934
21	H1    -3.1994    -1.3330    -0.9808	H	1	noname	0.0348
22	H2    -2.1251     0.0803    -0.8508	H	1	noname	0.0348
23	H3    -3.7000     0.0803    -0.0214	H	1	noname	0.0348
24	H4    -0.5318     3.8811    -1.7072	H	1	noname	0.1062
25	H5    -5.0343     3.8124    -6.5109	H	1	noname	0.1016
26	H6    -3.8704     5.7645    -6.5926	H	1	noname	0.0853
27	H7    -0.9202     5.3473    -5.7526	H	1	noname	0.0674
28	H8    -3.6323     8.2578    -6.1722	H	1	noname	0.0656
29	H9    -1.5933     4.4429    -7.6041	H	1	noname	0.2107
30	H10    -0.6506     7.8101    -5.9227	H	1	noname	0.0657
31	H11    -1.7256     8.5149    -3.8131	H	1	noname	0.0591
32	H12    -2.1496     9.8591    -5.0691	H	1	noname	0.0591
33	H13    -1.6937     7.1397    -8.2368	H	1	noname	0.2106
34	H14    -3.3419     9.2610    -2.8066	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	4	6	1
6	5	7	1
7	5	8	2
8	6	9	2
9	7	10	2
10	8	11	1
11	8	9	1
12	10	11	1
13	12	11	1
14	12	13	1
15	12	14	1
16	13	15	1
17	14	16	1
18	14	17	1
19	15	18	1
20	15	17	1
21	17	19	1
22	18	20	1
23	3	21	1
24	3	22	1
25	3	23	1
26	6	24	1
27	10	25	1
28	12	26	1
29	14	27	1
30	15	28	1
31	16	29	1
32	17	30	1
33	18	31	1
34	18	32	1
35	19	33	1
36	20	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1