@<TRIPOS>MOLECULE
DB07201
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     7.2332    -3.3511     1.1515	O.2	1	noname	-0.2541
2	C1     6.0739    -3.7739     0.9519	C.2	1	noname	0.1375
3	O2     5.5753    -4.7654     1.7206	O.3	1	noname	-0.2175
4	C2     5.2591    -3.1954    -0.1125	C.3	1	noname	0.0681
5	C3     3.9875    -2.5931     0.4887	C.3	1	noname	0.0891
6	C4     4.8814    -4.2867    -1.1160	C.3	1	noname	-0.0508
7	O3     3.1950    -2.0305    -0.5465	O.3	1	noname	-0.1963
8	N1     2.1437    -1.5326    -0.0495	N.2	1	noname	-0.1974
9	C5     1.2847    -0.9713    -0.8062	C.2	1	noname	0.0340
10	C6    -0.0004    -0.3258    -0.4756	C.2	1	noname	-0.0135
11	C7     1.2846    -0.7773    -2.2657	C.2	1	noname	-0.0135
12	C8    -0.6013     0.3008    -1.5909	C.2	1	noname	-0.0108
13	C9    -0.6374    -0.3347     0.8003	C.2	1	noname	-0.0270
14	C10     0.1549    -0.0292    -2.7118	C.2	1	noname	-0.0108
15	C11     2.2031    -1.3407    -3.1856	C.2	1	noname	-0.0270
16	C12    -1.8233     1.0375    -1.4869	C.2	1	noname	-0.0376
17	C13    -1.8817     0.3604     0.9067	C.2	1	noname	-0.0506
18	C14    -0.1378     0.1484    -4.0880	C.2	1	noname	-0.0376
19	C15     1.8972    -1.2050    -4.5745	C.2	1	noname	-0.0506
20	C16    -2.4500     1.0502    -0.2115	C.2	1	noname	-0.0454
21	C17     0.7412    -0.4815    -5.0199	C.2	1	noname	-0.0454
22	H1     5.6887    -4.5400     2.6469	H	1	noname	0.2213
23	H2     5.8621    -2.4237    -0.5909	H	1	noname	0.0431
24	H3     3.3913    -3.4067     0.9019	H	1	noname	0.0603
25	H4     4.2776    -1.7543     1.1214	H	1	noname	0.0603
26	H5     4.5712    -5.1829    -0.5787	H	1	noname	0.0239
27	H6     4.0609    -3.9363    -1.7422	H	1	noname	0.0239
28	H7     5.7429    -4.5185    -1.7422	H	1	noname	0.0239
29	H8    -0.1944    -0.8483     1.6535	H	1	noname	0.0629
30	H9     3.1013    -1.8535    -2.8415	H	1	noname	0.0629
31	H10    -2.2557     1.5635    -2.3380	H	1	noname	0.0629
32	H11    -2.4083     0.3646     1.8610	H	1	noname	0.0622
33	H12    -0.9945     0.7389    -4.4129	H	1	noname	0.0629
34	H13     2.5593    -1.6628    -5.3094	H	1	noname	0.0622
35	H14    -3.3837     1.5990    -0.0888	H	1	noname	0.0622
36	H15     0.5267    -0.4092    -6.0862	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	5	7	1
7	7	8	1
8	8	9	2
9	9	10	1
10	9	11	1
11	10	12	2
12	10	13	1
13	11	14	2
14	11	15	1
15	12	16	1
16	12	14	1
17	13	17	2
18	14	18	1
19	15	19	2
20	16	20	2
21	17	20	1
22	18	21	2
23	19	21	1
24	3	22	1
25	4	23	1
26	5	24	1
27	5	25	1
28	6	26	1
29	6	27	1
30	6	28	1
31	13	29	1
32	15	30	1
33	16	31	1
34	17	32	1
35	18	33	1
36	19	34	1
37	20	35	1
38	21	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1