@<TRIPOS>MOLECULE
DB04707
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     3.3131    -1.2498     0.2264	S	1	noname	-0.1118
2	O1     3.2031     0.3229     0.5228	O.2	1	noname	-0.1968
3	O2     2.5827    -1.5052    -1.1750	O.2	1	noname	-0.1968
4	N1     2.5759    -2.1648     1.5505	N.3	1	noname	0.0093
5	C1     5.0419    -1.6344     0.0010	C.2	1	noname	0.0294
6	C2     1.3643    -2.9322     1.1349	C.3	1	noname	0.0290
7	C3     2.7474    -1.4962     2.8655	C.3	1	noname	0.0178
8	C4     5.8793    -0.9787    -0.9614	C.2	1	noname	0.0416
9	C5     5.5947    -2.6594     0.8245	C.2	1	noname	0.0214
10	C6     0.2341    -3.1049     2.1798	C.3	1	noname	0.0094
11	C7     1.7124    -0.3922     3.1154	C.3	1	noname	-0.0264
12	C8     7.2765    -1.3834    -1.0683	C.2	1	noname	0.0017
13	C9     5.3656     0.0550    -1.8125	C.2	1	noname	-0.0060
14	C10     6.9515    -3.0416     0.7151	C.2	1	noname	-0.0307
15	N2    -0.3669    -1.7893     2.4997	N.3	1	noname	-0.3153
16	C11     0.3566    -0.9945     3.5419	C.3	1	noname	-0.0035
17	C12     8.1312    -0.7621    -2.0110	C.2	1	noname	0.0748
18	C13     7.7913    -2.4052    -0.2296	C.2	1	noname	0.0030
19	C14     6.2576     0.6457    -2.7366	C.2	1	noname	0.0238
20	O3     9.4288    -1.1120    -2.1387	O.3	1	noname	-0.2492
21	N3     7.5619     0.2183    -2.7884	N.2	1	noname	-0.2174
22	H1     0.9342    -2.3388     0.3280	H	1	noname	0.0458
23	H2     1.7382    -3.9360     0.9336	H	1	noname	0.0458
24	H3     2.5636    -2.2704     3.6104	H	1	noname	0.0445
25	H4     3.7201    -1.0066     2.8169	H	1	noname	0.0445
26	H5     4.9638    -3.1638     1.5564	H	1	noname	0.0639
27	H6    -0.5581    -3.6882     1.7105	H	1	noname	0.0441
28	H7     0.6943    -3.4549     3.1038	H	1	noname	0.0441
29	H8     2.0777     0.1845     3.9651	H	1	noname	0.0293
30	H9     1.5474     0.0969     2.1553	H	1	noname	0.0293
31	H10     4.3273     0.3823    -1.7586	H	1	noname	0.0645
32	H11     7.3497    -3.8262     1.3585	H	1	noname	0.0623
33	H12    -1.2050    -1.4597     2.0425	H	1	noname	0.1222
34	H13     0.5821    -1.7120     4.3307	H	1	noname	0.0428
35	H14    -0.2970    -0.1466     3.7469	H	1	noname	0.0428
36	H15     8.8367    -2.7027    -0.3114	H	1	noname	0.0630
37	H16     5.9372     1.4368    -3.4145	H	1	noname	0.0840
38	H17     9.8191    -1.2172    -1.2679	H	1	noname	0.2199
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	4	6	1
6	4	7	1
7	5	8	1
8	5	9	2
9	6	10	1
10	7	11	1
11	8	12	1
12	8	13	2
13	9	14	1
14	10	15	1
15	11	16	1
16	12	17	2
17	12	18	1
18	13	19	1
19	14	18	2
20	15	16	1
21	17	20	1
22	17	21	1
23	19	21	2
24	6	22	1
25	6	23	1
26	7	24	1
27	7	25	1
28	9	26	1
29	10	27	1
30	10	28	1
31	11	29	1
32	11	30	1
33	13	31	1
34	14	32	1
35	15	33	1
36	16	34	1
37	16	35	1
38	18	36	1
39	19	37	1
40	20	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1