@<TRIPOS>MOLECULE
DB06872
34 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.8967    -1.6779     0.2114	S.3	1	noname	-0.0735
2	C1     0.2181    -0.3893     0.5105	C.2	1	noname	0.0551
3	C2    -2.4107    -1.0216    -0.3083	C.2	1	noname	-0.0251
4	C3     1.0823     0.1297    -0.4982	C.2	1	noname	0.0777
5	C4     0.3452     0.2374     1.7852	C.2	1	noname	-0.0194
6	C5    -3.4693    -1.8704    -0.6099	C.2	1	noname	-0.0331
7	C6    -2.5686     0.3545    -0.4241	C.2	1	noname	-0.0331
8	O1     1.0401    -0.3593    -1.6478	O.2	1	noname	-0.2822
9	N1     1.9597     1.1537    -0.2376	N.3	1	noname	0.0842
10	N2     1.2376     1.2592     1.9994	N.3	1	noname	0.0397
11	C7    -4.6857    -1.3432    -1.0275	C.2	1	noname	-0.0534
12	C8    -3.7850     0.8818    -0.8417	C.2	1	noname	-0.0534
13	C9     2.0647     1.7451     1.0059	C.2	1	noname	0.0308
14	C10     1.3123     1.8348     3.2844	C.3	1	noname	0.1111
15	C11    -4.8436     0.0330    -1.1433	C.2	1	noname	-0.0553
16	O2     2.8702     2.6762     1.2221	O.2	1	noname	-0.2798
17	O3     1.0018     3.2180     3.2023	O.3	1	noname	-0.3627
18	C12     1.0770     3.7977     4.4964	C.3	1	noname	0.0716
19	C13     0.7424     5.2880     4.4079	C.3	1	noname	0.0667
20	O4     0.8176     5.8677     5.7020	O.3	1	noname	-0.3938
21	H1    -0.2655    -0.0778     2.6312	H	1	noname	0.0771
22	H2    -3.3455    -2.9496    -0.5191	H	1	noname	0.0634
23	H3    -1.7385     1.0202    -0.1876	H	1	noname	0.0634
24	H4     2.5495     1.4840    -0.9881	H	1	noname	0.1418
25	H5    -5.5158    -2.0088    -1.2640	H	1	noname	0.0623
26	H6    -3.9088     1.9610    -0.9325	H	1	noname	0.0623
27	H7     0.5283     1.3690     3.8815	H	1	noname	0.0749
28	H8     2.3532     1.7619     3.5994	H	1	noname	0.0749
29	H9    -5.7975     0.4465    -1.4708	H	1	noname	0.0622
30	H10     0.2955     3.3102     5.0792	H	1	noname	0.0591
31	H11     2.1204     3.7031     4.7972	H	1	noname	0.0591
32	H12     1.5240     5.7755     3.8250	H	1	noname	0.0587
33	H13    -0.3010     5.3826     4.1071	H	1	noname	0.0587
34	H14     0.8560     5.1721     6.3625	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	2
5	3	6	2
6	3	7	1
7	4	8	2
8	4	9	1
9	5	10	1
10	6	11	1
11	7	12	2
12	9	13	1
13	10	14	1
14	10	13	1
15	11	15	2
16	12	15	1
17	13	16	2
18	14	17	1
19	17	18	1
20	18	19	1
21	19	20	1
22	5	21	1
23	6	22	1
24	7	23	1
25	9	24	1
26	11	25	1
27	12	26	1
28	14	27	1
29	14	28	1
30	15	29	1
31	18	30	1
32	18	31	1
33	19	32	1
34	19	33	1
35	20	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1