@<TRIPOS>MOLECULE
DB03178
35 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     6.4714     1.0037     1.7309	S.2	1	noname	-0.0051
2	P1     5.1862     0.6127     0.3591	P	1	noname	-0.0404
3	O1     3.7399     0.4230     1.0209	O.3	1	noname	-0.1851
4	O2     5.5628    -0.7736    -0.3449	O.3	1	noname	-0.1862
5	O3     5.2207     1.7928    -0.6297	O.3	1	noname	-0.2026
6	C1     3.3621    -0.8794     0.5999	C.3	1	noname	0.1439
7	C2     4.5984    -1.6604     0.2029	C.3	1	noname	0.1308
8	C3     2.6553    -0.7928    -0.7477	C.3	1	noname	0.1590
9	C4     4.0454    -2.5657    -0.9086	C.3	1	noname	0.1130
10	O4     2.7282    -2.1268    -1.2497	O.3	1	noname	-0.3483
11	N1     1.3454    -0.2643    -0.6177	N.3	1	noname	-0.0064
12	C5     3.9880    -4.0104    -0.4083	C.3	1	noname	0.0722
13	C6     0.2073    -0.9250    -0.3380	C.2	1	noname	-0.0115
14	C7     1.0553     1.0559    -0.6776	C.2	1	noname	-0.0358
15	O5     3.4770    -4.8471    -1.4356	O.3	1	noname	-0.3934
16	N2    -0.0326    -2.2640    -0.1883	N.3	1	noname	0.0929
17	C8    -0.7813     0.0533    -0.1847	C.2	1	noname	0.0554
18	N3    -0.2571     1.2609    -0.4047	N.2	1	noname	-0.2138
19	C9    -1.2921    -2.6779     0.1422	C.2	1	noname	0.0423
20	C10    -2.0807    -0.3813     0.1628	C.2	1	noname	0.0561
21	N4    -2.2714    -1.7359     0.3140	N.2	1	noname	-0.1701
22	N5    -1.5570    -3.9470     0.2913	N.2	1	noname	-0.2387
23	O6    -3.0920     0.4955     0.3390	O.3	1	noname	-0.2485
24	H1     5.2448     2.6189    -0.1413	H	1	noname	0.2259
25	H2     2.7858    -1.2657     1.4406	H	1	noname	0.0688
26	H3     5.1306    -2.1522     1.0171	H	1	noname	0.0671
27	H4     3.0612    -0.1100    -1.4941	H	1	noname	0.0853
28	H5     4.6359    -2.4934    -1.8219	H	1	noname	0.0657
29	H6     5.0098    -4.3497    -0.2384	H	1	noname	0.0591
30	H7     3.2562    -4.0598     0.3979	H	1	noname	0.0591
31	H8     1.7747     1.8406    -0.9118	H	1	noname	0.1016
32	H9     3.5993    -5.7670    -1.1896	H	1	noname	0.2101
33	H10     0.7091    -2.9368    -0.3199	H	1	noname	0.0682
34	H11    -1.6031    -4.1678     1.2758	H	1	noname	0.1893
35	H12    -3.2425     0.6259     1.2782	H	1	noname	0.2199
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	2	5	1
5	6	3	1
6	7	4	1
7	6	8	1
8	6	7	1
9	7	9	1
10	8	10	1
11	8	11	1
12	9	12	1
13	9	10	1
14	11	13	1
15	11	14	1
16	12	15	1
17	13	16	1
18	13	17	2
19	14	18	2
20	16	19	1
21	17	20	1
22	17	18	1
23	19	21	1
24	19	22	2
25	20	23	1
26	20	21	2
27	5	24	1
28	6	25	1
29	7	26	1
30	8	27	1
31	9	28	1
32	12	29	1
33	12	30	1
34	14	31	1
35	15	32	1
36	16	33	1
37	22	34	1
38	23	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1