@<TRIPOS>MOLECULE
DB02462
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     1.7414    -0.0849    -0.0352	S.3	1	noname	-0.0306
2	C1     2.3967     1.5482     0.0925	C.2	1	noname	0.1127
3	C2    -0.0027     0.0794     0.1584	C.2	1	noname	0.0018
4	O1     3.6320     1.7211     0.1742	O.2	1	noname	-0.2807
5	C3     1.5325     2.6520     0.1023	C.2	1	noname	0.0792
6	C4    -0.6154     1.3818     0.1050	C.2	1	noname	0.0039
7	C5    -0.7699    -1.0898     0.3926	C.2	1	noname	-0.0202
8	C6     0.1227     2.5752     0.0530	C.2	1	noname	0.0035
9	C7    -2.0292     1.5180     0.2253	C.2	1	noname	-0.0267
10	C8    -2.1802    -0.9390     0.5350	C.2	1	noname	-0.0458
11	O2    -0.5643     3.7326    -0.0517	O.3	1	noname	-0.2739
12	C9    -2.8056     0.3448     0.4374	C.2	1	noname	-0.0429
13	C10    -0.7536     4.0483    -1.4232	C.3	1	noname	0.0546
14	C11    -1.5322     5.3600    -1.5418	C.3	1	noname	-0.0162
15	C12    -1.7362     5.7001    -3.0195	C.3	1	noname	-0.0002
16	N1    -2.4802     6.9535    -3.1329	N.3	1	noname	-0.3092
17	C13    -2.6751     7.2785    -4.5450	C.3	1	noname	-0.0136
18	C14    -3.7813     6.8085    -2.4821	C.3	1	noname	-0.0136
19	H1     1.9893     3.6404     0.1518	H	1	noname	0.0697
20	H2    -0.2933    -2.0677     0.4605	H	1	noname	0.0634
21	H3    -2.5053     2.4962     0.1566	H	1	noname	0.0630
22	H4    -2.7917    -1.8218     0.7221	H	1	noname	0.0623
23	H5    -3.8887     0.4302     0.5258	H	1	noname	0.0622
24	H6     0.2465     4.2118    -1.8247	H	1	noname	0.0572
25	H7    -1.3771     3.2482    -1.8223	H	1	noname	0.0572
26	H8    -2.5213     5.1779    -1.1214	H	1	noname	0.0303
27	H9    -0.8978     6.1415    -1.1237	H	1	noname	0.0303
28	H10    -0.7541     5.8939    -3.4509	H	1	noname	0.0431
29	H11    -2.3777     4.9304    -3.4486	H	1	noname	0.0431
30	H12    -2.7548     6.3573    -5.1222	H	1	noname	0.0394
31	H13    -3.5896     7.8603    -4.6610	H	1	noname	0.0394
32	H14    -1.8263     7.8603    -4.9044	H	1	noname	0.0394
33	H15    -3.6501     6.8231    -1.4002	H	1	noname	0.0394
34	H16    -4.4306     7.6316    -2.7805	H	1	noname	0.0394
35	H17    -4.2334     5.8626    -2.7805	H	1	noname	0.0394
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	3	7	1
7	5	8	2
8	6	9	1
9	6	8	1
10	7	10	2
11	8	11	1
12	9	12	2
13	10	12	1
14	11	13	1
15	13	14	1
16	14	15	1
17	15	16	1
18	16	17	1
19	16	18	1
20	5	19	1
21	7	20	1
22	9	21	1
23	10	22	1
24	12	23	1
25	13	24	1
26	13	25	1
27	14	26	1
28	14	27	1
29	15	28	1
30	15	29	1
31	17	30	1
32	17	31	1
33	17	32	1
34	18	33	1
35	18	34	1
36	18	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1