@<TRIPOS>MOLECULE
DB06150
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.8602    -1.7345    -0.0669	S	1	noname	-0.0972
2	O1     0.2865    -2.7815     0.3756	O.2	1	noname	-0.1947
3	O2    -2.1601    -2.5834    -0.4926	O.2	1	noname	-0.1947
4	N1    -1.2688    -0.7467     1.2878	N.3	1	noname	0.1097
5	C1    -0.1965    -0.8659    -1.4625	C.2	1	noname	-0.0163
6	C2    -1.4952    -1.2119     2.5630	C.2	1	noname	0.0676
7	C3     0.5441     0.3531    -1.2911	C.2	1	noname	0.0114
8	C4    -0.2823    -1.5072    -2.7491	C.2	1	noname	0.0114
9	N2    -1.7921    -0.2596     3.5206	N.2	1	noname	-0.2002
10	C5    -1.3878    -2.5984     2.9047	C.2	1	noname	0.0307
11	C6     1.2174     0.9283    -2.4223	C.2	1	noname	-0.0446
12	C7     0.3916    -0.9301    -3.8761	C.2	1	noname	-0.0446
13	C8    -1.9516    -0.5774     4.8443	C.2	1	noname	0.1283
14	C9    -1.5517    -2.9135     4.2780	C.2	1	noname	0.0836
15	C10     1.1349     0.2747    -3.6928	C.2	1	noname	-0.0036
16	O3    -2.2348     0.3628     5.7707	O.3	1	noname	-0.2071
17	N3    -1.8084    -1.9008     5.1797	N.2	1	noname	-0.1867
18	O4    -1.4574    -4.1927     4.6991	O.3	1	noname	-0.2396
19	N4     1.7747     0.8096    -4.7417	N.3	1	noname	-0.1510
20	C11    -3.6431     0.4992     5.8915	C.3	1	noname	0.0456
21	C12    -2.7393    -4.8019     4.6529	C.3	1	noname	0.0440
22	H1    -1.3942     0.2540     1.3425	H	1	noname	0.1522
23	H2     0.5945     0.8355    -0.3149	H	1	noname	0.0639
24	H3    -0.8555    -2.4265    -2.8697	H	1	noname	0.0639
25	H4    -1.1923    -3.3708     2.1610	H	1	noname	0.0701
26	H5     1.7857     1.8525    -2.3176	H	1	noname	0.0639
27	H6     0.3396    -1.4005    -4.8579	H	1	noname	0.0639
28	H7     1.2690     1.0112    -5.5925	H	1	noname	0.1242
29	H8     2.7625     1.0112    -4.6816	H	1	noname	0.1242
30	H9    -3.9165     0.5257     6.9463	H	1	noname	0.0536
31	H10    -3.9612     1.4241     5.4104	H	1	noname	0.0536
32	H11    -4.1327    -0.3475     5.4104	H	1	noname	0.0536
33	H12    -3.0974    -4.9721     5.6683	H	1	noname	0.0535
34	H13    -3.4342    -4.1468     4.1276	H	1	noname	0.0535
35	H14    -2.6702    -5.7544     4.1276	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	2
14	11	15	2
15	12	15	1
16	13	16	1
17	13	17	2
18	14	18	1
19	14	17	1
20	15	19	1
21	16	20	1
22	18	21	1
23	4	22	1
24	7	23	1
25	8	24	1
26	10	25	1
27	11	26	1
28	12	27	1
29	19	28	1
30	19	29	1
31	20	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