@<TRIPOS>MOLECULE
DB01790
34 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     8.0933    -2.9487     1.8799	S.2	1	noname	-0.0055
2	P1     6.4165    -3.0442     0.9495	P	1	noname	-0.0423
3	O1     5.6691    -1.6490     1.0618	O.3	1	noname	-0.1865
4	O2     6.6827    -3.2960    -0.5990	O.3	1	noname	-0.1906
5	O3     5.4795    -4.1482     1.4738	O.3	1	noname	-0.2029
6	C1     4.4915    -1.7128     0.2389	C.3	1	noname	0.1296
7	C2     5.5477    -3.0418    -1.4854	C.3	1	noname	0.0893
8	C3     3.4052    -0.6219     0.2622	C.3	1	noname	0.1270
9	C4     5.0257    -1.6072    -1.1966	C.3	1	noname	0.1141
10	O4     3.1888     0.0885     1.4770	O.3	1	noname	-0.3856
11	C5     3.8374     0.2098    -0.9553	C.3	1	noname	0.1590
12	O5     4.0484    -0.8744    -1.8991	O.3	1	noname	-0.3482
13	N1     2.8573     1.1874    -1.3581	N.3	1	noname	0.0257
14	C6     1.9517     1.0343    -2.3332	C.2	1	noname	0.1238
15	C7     2.6368     2.4130    -0.8051	C.2	1	noname	-0.0362
16	N2     1.7740    -0.0048    -3.2059	N.2	1	noname	-0.2441
17	C8     1.1454     2.1606    -2.3290	C.2	1	noname	0.0254
18	N3     1.5735     3.0103    -1.3948	N.2	1	noname	-0.2172
19	C9     0.7537     0.0521    -4.1153	C.2	1	noname	0.0503
20	C10     0.0822     2.2137    -3.2612	C.2	1	noname	0.0729
21	N4    -0.0624     1.1470    -4.1171	N.2	1	noname	-0.2575
22	N5    -0.7510     3.2621    -3.3083	N.3	1	noname	-0.1031
23	H1     5.4842    -4.1427     2.4337	H	1	noname	0.2259
24	H2     4.0444    -2.6133     0.6599	H	1	noname	0.0670
25	H3     5.9470    -3.0591    -2.4995	H	1	noname	0.0604
26	H4     4.7720    -3.7496    -1.1930	H	1	noname	0.0604
27	H5     2.3755    -0.9788     0.2829	H	1	noname	0.0674
28	H6     5.8234    -0.9563    -1.5546	H	1	noname	0.0657
29	H7     3.0610    -0.5363     2.1946	H	1	noname	0.2107
30	H8     4.6934     0.8784    -0.8633	H	1	noname	0.0853
31	H9     3.2284     2.8540    -0.0029	H	1	noname	0.1016
32	H10     0.5940    -0.7597    -4.8250	H	1	noname	0.1062
33	H11    -0.3802     4.2014    -3.3260	H	1	noname	0.1258
34	H12    -1.7497     3.1130    -3.3260	H	1	noname	0.1258
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	2	5	1
5	6	3	1
6	4	7	1
7	6	8	1
8	6	9	1
9	7	9	1
10	8	10	1
11	8	11	1
12	9	12	1
13	11	13	1
14	11	12	1
15	13	14	1
16	13	15	1
17	14	16	2
18	14	17	1
19	15	18	2
20	16	19	1
21	17	20	2
22	17	18	1
23	19	21	2
24	20	22	1
25	20	21	1
26	5	23	1
27	6	24	1
28	7	25	1
29	7	26	1
30	8	27	1
31	9	28	1
32	10	29	1
33	11	30	1
34	15	31	1
35	19	32	1
36	22	33	1
37	22	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1