@<TRIPOS>MOLECULE
DB03445
34 34 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -3.2715    -1.8147    -0.5081	S	1	noname	0.0425
2	O1    -2.5479    -3.1856    -0.8620	O.2	1	noname	-0.1940
3	O2    -4.5349    -1.8087     0.4572	O.2	1	noname	-0.1940
4	C1    -2.6603    -0.2696    -1.2001	C.3	1	noname	0.1164
5	C2    -1.2556     0.0099    -0.6620	C.3	1	noname	0.1204
6	C3    -3.5960     0.8733    -0.8013	C.3	1	noname	0.0592
7	C4    -2.6097    -0.3786    -2.7254	C.3	1	noname	-0.0397
8	N1    -1.3022     0.1104     0.7437	N.3	1	noname	-0.1585
9	C5    -0.3627    -1.0807    -1.0426	C.2	1	noname	0.1449
10	N2    -3.1172     2.0837    -1.3434	N.3	1	noname	0.0223
11	C6    -0.0995     0.3497     1.2045	C.2	1	noname	-0.1088
12	O3     0.6435    -0.8478    -1.7467	O.2	1	noname	-0.2488
13	O4    -0.6237    -2.3406    -0.6340	O.3	1	noname	-0.2134
14	N3    -1.9664     2.6080    -1.0947	N.2	1	noname	-0.2167
15	C7    -3.7829     2.8635    -2.1920	C.2	1	noname	-0.0258
16	C8     0.0968     0.4839     2.5130	C.2	1	noname	0.0164
17	N4    -1.8568     3.7076    -1.7539	N.2	1	noname	-0.1614
18	C9    -2.9573     3.9403    -2.4694	C.2	1	noname	0.0571
19	C10     1.3179     0.7268     2.9809	C.2	1	noname	0.0905
20	O5     1.4979     0.8499     4.1812	O.2	1	noname	-0.3061
21	H1    -3.7197    -2.9478    -0.0006	H	1	noname	0.1902
22	H2    -0.8415     0.9514    -1.0230	H	1	noname	0.0597
23	H3    -4.5610     0.7049    -1.2793	H	1	noname	0.0510
24	H4    -3.5378     0.9985     0.2799	H	1	noname	0.0510
25	H5    -2.6001    -1.4295    -3.0144	H	1	noname	0.0250
26	H6    -3.4860     0.1080    -3.1537	H	1	noname	0.0250
27	H7    -1.7070     0.1080    -3.0947	H	1	noname	0.0250
28	H8    -2.1046     0.0213     1.3505	H	1	noname	0.1284
29	H9     0.7315     0.4366     0.5045	H	1	noname	0.0750
30	H10    -0.6300    -2.3710     0.3255	H	1	noname	0.2213
31	H11    -4.7837     2.6641    -2.5753	H	1	noname	0.0826
32	H12    -0.7431     0.3947     3.2021	H	1	noname	0.0667
33	H13    -3.1371     4.7969    -3.1190	H	1	noname	0.0873
34	H14     2.2054     0.8291     2.3564	H	1	noname	0.1091
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	4	5	1
5	4	6	1
6	4	7	1
7	5	8	1
8	5	9	1
9	6	10	1
10	8	11	1
11	9	12	2
12	9	13	1
13	10	14	1
14	10	15	1
15	11	16	2
16	14	17	2
17	15	18	2
18	16	19	1
19	17	18	1
20	19	20	2
21	1	21	1
22	5	22	1
23	6	23	1
24	6	24	1
25	7	25	1
26	7	26	1
27	7	27	1
28	8	28	1
29	11	29	1
30	13	30	1
31	15	31	1
32	16	32	1
33	18	33	1
34	19	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1