@<TRIPOS>MOLECULE
DB02645
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.6308     0.3444     0.2127	O.3	1	noname	-0.3413
2	C1     1.6236    -0.0552    -0.7864	C.3	1	noname	0.1863
3	C2     0.2779     1.7543     0.3907	C.3	1	noname	0.1124
4	O2     2.3257    -1.1999    -0.3245	O.3	1	noname	-0.3496
5	C3     2.6428     1.0387    -1.2199	C.3	1	noname	0.1333
6	C4     0.5639     2.6943    -0.8171	C.3	1	noname	0.1112
7	C5    -1.1962     1.8651     0.7854	C.3	1	noname	0.0722
8	C6     1.4096    -2.2645    -0.1153	C.3	1	noname	0.0525
9	O3     3.6484     1.1693    -0.2258	O.3	1	noname	-0.3849
10	C7     1.9617     2.4229    -1.4559	C.3	1	noname	0.1134
11	O4     0.4926     4.0471    -0.3913	O.3	1	noname	-0.3874
12	O5    -1.4145     1.1653     2.0016	O.3	1	noname	-0.3934
13	C8     2.1661    -3.4978     0.3823	C.3	1	noname	-0.0007
14	O6     1.9056     2.6914    -2.8492	O.3	1	noname	-0.3873
15	C9     1.1791    -4.6450     0.6077	C.3	1	noname	0.0833
16	O7     1.8811    -5.7896     1.0696	O.3	1	noname	-0.3729
17	C10     1.5401    -5.8158    -0.3086	C.3	1	noname	0.0735
18	H1     1.0161    -0.3463    -1.6433	H	1	noname	0.0951
19	H2     0.9547     2.0452     1.1941	H	1	noname	0.0657
20	H3     3.1679     0.7205    -2.1205	H	1	noname	0.0682
21	H4    -0.2202     2.5879    -1.5668	H	1	noname	0.0657
22	H5    -1.4081     2.9106     1.0094	H	1	noname	0.0591
23	H6    -1.7869     1.3376     0.0364	H	1	noname	0.0591
24	H7     0.7500    -1.9276     0.6843	H	1	noname	0.0568
25	H8     1.0005    -2.4936    -1.0993	H	1	noname	0.0568
26	H9     3.2467     1.1171     0.6445	H	1	noname	0.2108
27	H10     2.6321     3.1553    -1.0062	H	1	noname	0.0658
28	H11     0.4909     4.0809     0.5681	H	1	noname	0.2106
29	H12    -1.3849     0.2200     1.8366	H	1	noname	0.2101
30	H13     2.8292    -3.8074    -0.4255	H	1	noname	0.0317
31	H14     2.5787    -3.2414     1.3581	H	1	noname	0.0317
32	H15     1.8861     1.8631    -3.3341	H	1	noname	0.2106
33	H16     0.2691    -4.1263     0.9095	H	1	noname	0.0628
34	H17     0.7244    -6.4857    -0.5809	H	1	noname	0.0593
35	H18     2.3641    -5.6502    -1.0026	H	1	noname	0.0593
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	3	7	1
7	4	8	1
8	5	9	1
9	5	10	1
10	6	11	1
11	6	10	1
12	7	12	1
13	8	13	1
14	10	14	1
15	15	13	1
16	15	16	1
17	15	17	1
18	16	17	1
19	2	18	1
20	3	19	1
21	5	20	1
22	6	21	1
23	7	22	1
24	7	23	1
25	8	24	1
26	8	25	1
27	9	26	1
28	10	27	1
29	11	28	1
30	12	29	1
31	13	30	1
32	13	31	1
33	14	32	1
34	15	33	1
35	17	34	1
36	17	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1