@<TRIPOS>MOLECULE
DB07004
36 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -2.7773     2.4027    -1.7713	S.2	1	noname	-0.1206
2	C1    -2.5745     0.7595    -1.3857	C.2	1	noname	-0.0714
3	N1    -1.3455     0.1819    -1.4913	N.3	1	noname	-0.0630
4	N2    -3.6002     0.0488    -0.9871	N.3	1	noname	-0.1206
5	N3    -1.4267    -1.1103    -1.1381	N.3	1	noname	-0.0261
6	C2    -3.7055     0.1221     0.4170	C.3	1	noname	-0.0098
7	C3    -0.7010    -1.5706    -0.1100	C.2	1	noname	0.0658
8	O1    -0.7766    -2.7742     0.2190	O.2	1	noname	-0.2755
9	C4     0.1359    -0.7099     0.5905	C.2	1	noname	0.0729
10	O2     0.7564     0.3739     0.0794	O.3	1	noname	-0.3281
11	C5     0.4720    -0.8217     1.9299	C.2	1	noname	0.0412
12	C6     1.4785     0.9542     1.0592	C.2	1	noname	0.0883
13	C7     1.3236     0.2316     2.2324	C.2	1	noname	0.0269
14	C8     2.2012     2.0168     0.9258	C.1	1	noname	0.0008
15	C9     2.8692     2.9988     0.8025	C.1	1	noname	-0.0648
16	C10     3.6310     4.1190     0.6619	C.3	1	noname	0.0093
17	C11     4.9447     3.7582    -0.0347	C.3	1	noname	-0.0425
18	C12     5.8005     5.0166    -0.1927	C.3	1	noname	-0.0552
19	C13     7.1141     4.6557    -0.8892	C.3	1	noname	-0.0653
20	H1    -0.4980     0.6441    -1.7882	H	1	noname	0.1498
21	H2    -4.1913    -0.4548    -1.6329	H	1	noname	0.1296
22	H3    -2.0345    -1.7367    -1.6463	H	1	noname	0.1513
23	H4    -3.7367    -0.8853     0.8321	H	1	noname	0.0396
24	H5    -2.8432     0.6541     0.8188	H	1	noname	0.0396
25	H6    -4.6182     0.6541     0.6856	H	1	noname	0.0396
26	H7     0.1300    -1.5948     2.6179	H	1	noname	0.0653
27	H8     1.7797     0.4480     3.1985	H	1	noname	0.0658
28	H9     3.0523     4.7670     0.0036	H	1	noname	0.0402
29	H10     3.8508     4.4346     1.6818	H	1	noname	0.0402
30	H11     5.4851     3.0925     0.6383	H	1	noname	0.0276
31	H12     4.6866     3.4249    -1.0399	H	1	noname	0.0276
32	H13     5.2601     5.6823    -0.8656	H	1	noname	0.0264
33	H14     6.0586     5.3498     0.8125	H	1	noname	0.0264
34	H15     7.8772     4.4462    -0.1396	H	1	noname	0.0230
35	H16     6.9648     3.7738    -1.5121	H	1	noname	0.0230
36	H17     7.4362     5.4902    -1.5121	H	1	noname	0.0230
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	5	7	1
7	7	8	2
8	7	9	1
9	9	10	1
10	9	11	2
11	10	12	1
12	11	13	1
13	12	14	1
14	12	13	2
15	14	15	3
16	15	16	1
17	16	17	1
18	17	18	1
19	18	19	1
20	3	20	1
21	4	21	1
22	5	22	1
23	6	23	1
24	6	24	1
25	6	25	1
26	11	26	1
27	13	27	1
28	16	28	1
29	16	29	1
30	17	30	1
31	17	31	1
32	18	32	1
33	18	33	1
34	19	34	1
35	19	35	1
36	19	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1