@<TRIPOS>MOLECULE
DB04164
39 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.7330     1.5837     0.2377	O.2	1	noname	-0.2823
2	C1    -1.5061     1.3594     0.1544	C.2	1	noname	0.1356
3	C2    -0.9512     0.3146    -0.6975	C.2	1	noname	0.0890
4	C3    -0.4429     2.1744     0.9533	C.3	1	noname	0.1446
5	C4     0.3386    -0.0578    -0.7028	C.2	1	noname	0.0046
6	C5    -1.7802    -0.3132    -1.5268	C.2	1	noname	0.1193
7	O2    -0.0603     3.3250     0.2176	O.3	1	noname	-0.3820
8	C6     0.8564     1.3942     1.3054	C.3	1	noname	0.1063
9	C7     1.4129     0.5247     0.1359	C.3	1	noname	0.0562
10	O3    -1.3649    -0.7559    -2.5850	O.2	1	noname	-0.2980
11	O4     0.6120     0.6051     2.4599	O.3	1	noname	-0.3878
12	N1     2.4451    -0.4120     0.6816	N.3	1	noname	-0.2972
13	C8     2.8074    -1.5562    -0.1679	C.3	1	noname	0.0830
14	C9     3.2308    -2.8367     0.6222	C.2	1	noname	-0.0288
15	C10     3.8632    -1.2565    -1.2624	C.3	1	noname	0.1064
16	O5     3.3053    -3.9478    -0.3296	O.3	1	noname	-0.2599
17	C11     3.4794    -2.9054     1.9270	C.2	1	noname	-0.0306
18	O6     3.4765    -0.0994    -1.9890	O.3	1	noname	-0.3880
19	C12     3.9705    -2.4723    -2.2379	C.3	1	noname	0.1329
20	C13     4.2410    -3.7959    -1.4453	C.3	1	noname	0.1888
21	O7     5.0274    -2.2480    -3.1594	O.3	1	noname	-0.3849
22	O8     5.5715    -3.7870    -0.9492	O.3	1	noname	-0.3654
23	H1    -0.9222     2.5189     1.8697	H	1	noname	0.0715
24	H2     0.5205    -0.8631    -1.4146	H	1	noname	0.0602
25	H3    -2.8409    -0.4709    -1.3315	H	1	noname	0.1099
26	H4     0.1741     4.0301     0.8254	H	1	noname	0.2112
27	H5     1.6409     2.0923     1.5973	H	1	noname	0.0652
28	H6     1.9373     1.0937    -0.6319	H	1	noname	0.0538
29	H7     0.6611    -0.3252     2.2279	H	1	noname	0.2106
30	H8     2.8783    -0.2778     1.5840	H	1	noname	0.1236
31	H9     1.8361    -1.6984    -0.6418	H	1	noname	0.0565
32	H10     4.8271    -0.9979    -0.8239	H	1	noname	0.0650
33	H11     4.5086    -2.9335     2.2850	H	1	noname	0.0562
34	H12     2.6540    -2.9335     2.6383	H	1	noname	0.0562
35	H13     3.2426     0.6006    -1.3750	H	1	noname	0.2106
36	H14     3.0777    -2.5576    -2.8575	H	1	noname	0.0682
37	H15     4.1472    -4.6882    -2.0642	H	1	noname	0.0953
38	H16     5.8401    -2.0755    -2.6784	H	1	noname	0.2108
39	H17     5.5552    -3.7871     0.0107	H	1	noname	0.2134
@<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	1
7	4	8	1
8	5	9	1
9	6	10	2
10	8	11	1
11	8	9	1
12	9	12	1
13	13	12	1
14	13	14	1
15	13	15	1
16	14	16	1
17	14	17	2
18	15	18	1
19	15	19	1
20	16	20	1
21	19	21	1
22	19	20	1
23	20	22	1
24	4	23	1
25	5	24	1
26	6	25	1
27	7	26	1
28	8	27	1
29	9	28	1
30	11	29	1
31	12	30	1
32	13	31	1
33	15	32	1
34	17	33	1
35	17	34	1
36	18	35	1
37	19	36	1
38	20	37	1
39	21	38	1
40	22	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1