@<TRIPOS>MOLECULE
DB02941
37 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.1765    -1.2402    -3.6229	O.2	1	noname	-0.2558
2	C1     1.6981    -1.4870    -2.5141	C.2	1	noname	0.1349
3	O2     2.9576    -1.9691    -2.4529	O.3	1	noname	-0.2188
4	C2     0.9452    -1.2538    -1.2851	C.3	1	noname	0.0377
5	C3     1.8067    -1.6342    -0.0793	C.3	1	noname	-0.0171
6	C4     3.0761    -0.7800    -0.0696	C.3	1	noname	0.0045
7	C5     1.0178    -1.3898     1.2087	C.3	1	noname	-0.0484
8	N1     3.8993    -1.1435     1.0826	N.3	1	noname	-0.3276
9	C6     3.8650    -1.0244    -1.3575	C.3	1	noname	-0.0497
10	C7    -0.2516    -2.2440     1.1990	C.3	1	noname	-0.0529
11	C8    -1.0405    -1.9996     2.4869	C.3	1	noname	-0.0528
12	C9    -2.3099    -2.8538     2.4772	C.3	1	noname	-0.0439
13	C10    -3.0989    -2.6094     3.7651	C.3	1	noname	0.0335
14	C11    -4.3101    -3.4245     3.7559	C.2	1	noname	0.1348
15	O3    -5.1032    -3.3764     4.7209	O.2	1	noname	-0.2559
16	O4    -4.5736    -4.2302     2.7052	O.3	1	noname	-0.2189
17	H1     3.2178    -2.0687    -1.5342	H	1	noname	0.2213
18	H2     0.7714    -0.1787    -1.2394	H	1	noname	0.0376
19	H3     0.1002    -1.9417    -1.3161	H	1	noname	0.0376
20	H4     2.0783    -2.6878    -0.1446	H	1	noname	0.0324
21	H5     2.8284     0.2762     0.0354	H	1	noname	0.0462
22	H6     1.6355    -1.7534     2.0298	H	1	noname	0.0270
23	H7     0.6964    -0.3485     1.1880	H	1	noname	0.0270
24	H8     4.8954    -1.2691     0.9721	H	1	noname	0.1186
25	H9     3.4720    -1.2691     1.9891	H	1	noname	0.1186
26	H10     3.9667    -2.0969    -1.5234	H	1	noname	0.0246
27	H11     3.3364    -0.5752    -2.1982	H	1	noname	0.0246
28	H12     4.8542    -0.5752    -1.2684	H	1	noname	0.0246
29	H13    -0.8693    -1.8804     0.3778	H	1	noname	0.0267
30	H14     0.0697    -3.2854     1.2196	H	1	noname	0.0267
31	H15    -0.4229    -2.3632     3.3081	H	1	noname	0.0267
32	H16    -1.3619    -0.9583     2.4663	H	1	noname	0.0267
33	H17    -2.9276    -2.4902     1.6560	H	1	noname	0.0272
34	H18    -1.9886    -3.8952     2.4979	H	1	noname	0.0272
35	H19    -2.4961    -2.9776     4.5953	H	1	noname	0.0372
36	H20    -3.4351    -1.5727     3.7535	H	1	noname	0.0372
37	H21    -4.5047    -5.1474     2.9801	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	5	4	1
5	5	6	1
6	5	7	1
7	6	8	1
8	6	9	1
9	7	10	1
10	10	11	1
11	11	12	1
12	12	13	1
13	13	14	1
14	14	15	2
15	14	16	1
16	3	17	1
17	4	18	1
18	4	19	1
19	5	20	1
20	6	21	1
21	7	22	1
22	7	23	1
23	8	24	1
24	8	25	1
25	9	26	1
26	9	27	1
27	9	28	1
28	10	29	1
29	10	30	1
30	11	31	1
31	11	32	1
32	12	33	1
33	12	34	1
34	13	35	1
35	13	36	1
36	16	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1