@<TRIPOS>MOLECULE
DB01668
34 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.2063    -0.4984     1.0924	O.2	1	noname	-0.2911
2	C1     0.8169    -0.3788    -0.0893	C.2	1	noname	0.0992
3	C2    -0.5123    -0.8651    -0.5532	C.2	1	noname	0.0447
4	C3     1.6332     0.2535    -1.1357	C.2	1	noname	0.0873
5	C4    -1.2689    -1.7395     0.2993	C.2	1	noname	0.0467
6	C5    -1.0225    -0.4615    -1.8315	C.2	1	noname	0.0281
7	C6     1.1644     0.5921    -2.3875	C.2	1	noname	0.0859
8	C7     3.0662     0.3752    -0.8317	C.3	1	noname	0.0846
9	O2    -0.7884    -2.1261     1.5002	O.3	1	noname	-0.2776
10	C8    -2.5376    -2.1854    -0.1586	C.2	1	noname	-0.0042
11	C9    -0.2476     0.4262    -2.7544	C.2	1	noname	0.0921
12	C10    -2.3059    -0.9106    -2.2816	C.2	1	noname	-0.0210
13	C11     2.0517     0.9390    -3.5391	C.3	1	noname	0.1232
14	O3     3.8825     0.1646    -2.0549	O.3	1	noname	-0.3666
15	C12     3.4185     1.6629    -0.0340	C.3	1	noname	-0.0342
16	C13    -3.0513    -1.7758    -1.4253	C.2	1	noname	-0.0238
17	O4    -0.7589     0.9791    -3.7522	O.2	1	noname	-0.2932
18	O5     1.9058     2.0925    -4.3770	O.3	1	noname	-0.1985
19	C14     3.5255     1.0851    -3.1212	C.3	1	noname	0.0988
20	C15     3.1028     1.9867    -5.1880	C.2	1	noname	0.1443
21	C16     4.1639     1.0932    -4.5095	C.3	1	noname	0.0629
22	O6     3.2563     2.5468    -6.2949	O.2	1	noname	-0.2525
23	H1     3.3003    -0.4709    -0.1856	H	1	noname	0.0653
24	H2    -0.7707    -3.0850     1.5442	H	1	noname	0.2182
25	H3    -3.1261    -2.8522     0.4718	H	1	noname	0.0650
26	H4    -2.7042    -0.6026    -3.2483	H	1	noname	0.0630
27	H5     1.6765     0.1273    -4.1623	H	1	noname	0.0691
28	H6     3.3617     1.4553     1.0345	H	1	noname	0.0260
29	H7     4.4288     1.9831    -0.2887	H	1	noname	0.0260
30	H8     2.7119     2.4528    -0.2887	H	1	noname	0.0260
31	H9    -4.0312    -2.1303    -1.7449	H	1	noname	0.0623
32	H10     3.9042     1.9228    -2.5356	H	1	noname	0.0640
33	H11     5.1145     1.6249    -4.4656	H	1	noname	0.0400
34	H12     4.1199     0.0894    -4.9320	H	1	noname	0.0400
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	3	6	1
6	4	7	2
7	4	8	1
8	5	9	1
9	5	10	1
10	6	11	1
11	6	12	2
12	7	13	1
13	7	11	1
14	8	14	1
15	8	15	1
16	10	16	2
17	11	17	2
18	12	16	1
19	13	18	1
20	13	19	1
21	19	14	1
22	18	20	1
23	19	21	1
24	20	22	2
25	20	21	1
26	8	23	1
27	9	24	1
28	10	25	1
29	12	26	1
30	13	27	1
31	15	28	1
32	15	29	1
33	15	30	1
34	16	31	1
35	19	32	1
36	21	33	1
37	21	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1