@<TRIPOS>MOLECULE
DB07171
38 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.0111     2.2304    -1.7840	O.3	1	noname	-0.3962
2	C1    -1.7378     1.4574    -0.6246	C.3	1	noname	0.0434
3	C2    -0.2656     1.0410    -0.6246	C.3	1	noname	-0.0270
4	C3     0.0289     0.2082     0.6246	C.3	1	noname	-0.0392
5	C4     1.5011    -0.2082     0.6246	C.3	1	noname	-0.0503
6	C5    -0.2656     1.0410     1.8739	C.3	1	noname	-0.0503
7	C6     1.7956    -1.0410    -0.6246	C.3	1	noname	-0.0508
8	C7     0.0289     0.2082     3.1231	C.3	1	noname	-0.0508
9	C8     3.2678    -1.4574    -0.6246	C.3	1	noname	-0.0298
10	C9    -0.2656     1.0410     4.3723	C.3	1	noname	-0.0298
11	C10     3.5623    -2.2903    -1.8739	C.3	1	noname	0.0432
12	C11     0.0289     0.2082     5.6216	C.3	1	noname	0.0432
13	O2     4.9287    -2.6767    -1.8739	O.3	1	noname	-0.3962
14	O3    -0.2444     0.9812     6.7810	O.3	1	noname	-0.3962
15	H1    -2.1857     1.6453    -2.5249	H	1	noname	0.2100
16	H2    -1.8984     2.1302     0.2179	H	1	noname	0.0563
17	H3    -2.3434     0.5569    -0.7261	H	1	noname	0.0563
18	H4    -0.1247     0.3829    -1.4820	H	1	noname	0.0293
19	H5     0.3203     1.9561    -0.5380	H	1	noname	0.0293
20	H6    -0.6004    -0.6818     0.6246	H	1	noname	0.0303
21	H7     2.0870     0.7069     0.5380	H	1	noname	0.0269
22	H8     1.6420    -0.8664     1.4820	H	1	noname	0.0269
23	H9     0.4427     1.8695     1.8739	H	1	noname	0.0269
24	H10    -1.3372     1.2402     1.8739	H	1	noname	0.0269
25	H11     1.2097    -1.9561    -0.5380	H	1	noname	0.0267
26	H12     1.6547    -0.3829    -1.4820	H	1	noname	0.0267
27	H13    -0.6794    -0.6203     3.1231	H	1	noname	0.0267
28	H14     1.1005     0.0090     3.1231	H	1	noname	0.0267
29	H15     3.8536    -0.5423    -0.7112	H	1	noname	0.0290
30	H16     3.4087    -2.1156     0.2327	H	1	noname	0.0290
31	H17     0.4427     1.8695     4.3723	H	1	noname	0.0290
32	H18    -1.3372     1.2402     4.3723	H	1	noname	0.0290
33	H19     2.9972    -3.2195    -1.8011	H	1	noname	0.0563
34	H20     3.4422    -1.6463    -2.7450	H	1	noname	0.0563
35	H21    -0.6797    -0.6196     5.6503	H	1	noname	0.0563
36	H22     1.1003     0.0097     5.6503	H	1	noname	0.0563
37	H23     5.2366    -2.7638    -0.9688	H	1	noname	0.2100
38	H24    -0.4190     0.3961     7.5218	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	3	4	1
4	4	5	1
5	4	6	1
6	5	7	1
7	6	8	1
8	7	9	1
9	8	10	1
10	9	11	1
11	10	12	1
12	11	13	1
13	12	14	1
14	1	15	1
15	2	16	1
16	2	17	1
17	3	18	1
18	3	19	1
19	4	20	1
20	5	21	1
21	5	22	1
22	6	23	1
23	6	24	1
24	7	25	1
25	7	26	1
26	8	27	1
27	8	28	1
28	9	29	1
29	9	30	1
30	10	31	1
31	10	32	1
32	11	33	1
33	11	34	1
34	12	35	1
35	12	36	1
36	13	37	1
37	14	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1