@<TRIPOS>MOLECULE
DB07234
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.8080    -1.5037     0.8229	O.2	1	noname	-0.2685
2	C1     1.1131    -0.3506     0.4489	C.2	1	noname	0.1442
3	C2     0.7949     0.4513    -0.6431	C.2	1	noname	0.0574
4	C3     1.9273     0.6888     0.9576	C.2	1	noname	0.1385
5	N1     0.0294     0.3142    -1.7715	N.3	1	noname	0.0594
6	C4     1.5708     1.4689    -0.1281	C.2	1	noname	0.0113
7	O2     2.6577     0.8385     1.9608	O.2	1	noname	-0.2663
8	C5     0.1985     0.8496    -3.0297	C.2	1	noname	-0.0272
9	N2     1.8322     2.7263    -0.5133	N.3	1	noname	-0.1208
10	C6    -0.9538     0.7431    -3.8853	C.2	1	noname	-0.0224
11	C7     1.4375     1.4327    -3.4725	C.2	1	noname	-0.0224
12	C8     0.6304     3.4619    -0.5635	C.3	1	noname	0.0339
13	C9    -0.8340     1.2490    -5.2163	C.2	1	noname	-0.0030
14	C10     1.5033     1.9477    -4.7948	C.2	1	noname	-0.0030
15	C11     0.9151     4.8312    -0.9828	C.2	1	noname	-0.0474
16	C12    -0.0165     3.4772     0.8229	C.3	1	noname	-0.0452
17	N3     0.3690     1.8272    -5.5811	N.2	1	noname	-0.2617
18	C13     0.3362     5.3380    -2.1404	C.2	1	noname	-0.0523
19	C14     1.7649     5.6278    -0.2245	C.2	1	noname	-0.0523
20	C15     0.6071     6.6416    -2.5397	C.2	1	noname	-0.0592
21	C16     2.0359     6.9314    -0.6237	C.2	1	noname	-0.0592
22	C17     1.4570     7.4383    -1.7813	C.2	1	noname	-0.0613
23	H1    -0.7853    -0.2720    -1.6583	H	1	noname	0.0637
24	H2     2.7622     3.0579    -0.7261	H	1	noname	0.1289
25	H3    -1.8845     0.2950    -3.5375	H	1	noname	0.0645
26	H4     2.3088     1.4834    -2.8194	H	1	noname	0.0645
27	H5     0.0079     2.9808    -1.3178	H	1	noname	0.0516
28	H6    -1.6465     1.1948    -5.9409	H	1	noname	0.0839
29	H7     2.3993     2.4221    -5.1950	H	1	noname	0.0839
30	H8    -0.1745     2.4533     1.1615	H	1	noname	0.0250
31	H9     0.6385     3.9947     1.5238	H	1	noname	0.0250
32	H10    -0.9745     3.9947     0.7712	H	1	noname	0.0250
33	H11    -0.3303     4.7133    -2.7351	H	1	noname	0.0626
34	H12     2.2189     5.2303     0.6833	H	1	noname	0.0626
35	H13     0.1532     7.0391    -3.4474	H	1	noname	0.0622
36	H14     2.7024     7.5561    -0.0290	H	1	noname	0.0622
37	H15     1.6696     8.4605    -2.0944	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	2
6	4	7	2
7	4	6	1
8	5	8	1
9	6	9	1
10	8	10	2
11	8	11	1
12	12	9	1
13	10	13	1
14	11	14	2
15	12	15	1
16	12	16	1
17	13	17	2
18	14	17	1
19	15	18	2
20	15	19	1
21	18	20	1
22	19	21	2
23	20	22	2
24	21	22	1
25	5	23	1
26	9	24	1
27	10	25	1
28	11	26	1
29	12	27	1
30	13	28	1
31	14	29	1
32	16	30	1
33	16	31	1
34	16	32	1
35	18	33	1
36	19	34	1
37	20	35	1
38	21	36	1
39	22	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1