@<TRIPOS>MOLECULE
DB06261
36 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.2496     0.3056     1.0304	O.2	1	noname	-0.2541
2	C1    -0.0945     1.4856     0.8032	C.2	1	noname	0.1401
3	O2    -1.2473     1.9636     1.3180	O.3	1	noname	-0.2070
4	C2     0.7503     2.3470    -0.0190	C.3	1	noname	0.0406
5	C3    -1.6382     3.3041     1.0599	C.3	1	noname	0.0564
6	C4     2.1278     2.4827     0.6329	C.3	1	noname	0.0167
7	C5    -2.9717     3.5891     1.7538	C.3	1	noname	-0.0289
8	C6     2.9726     3.3440    -0.1893	C.2	1	noname	0.1428
9	C7    -3.3929     5.0335     1.4757	C.3	1	noname	-0.0511
10	O3     4.1465     3.5887     0.1635	O.2	1	noname	-0.2942
11	C8     2.4462     3.9194    -1.4236	C.3	1	noname	0.0521
12	C9    -4.7264     5.3184     2.1696	C.3	1	noname	-0.0535
13	N1     2.4930     5.3783    -1.3398	N.3	1	noname	-0.3240
14	C10    -5.1476     6.7628     1.8915	C.3	1	noname	-0.0561
15	C11    -6.4810     7.0478     2.5855	C.3	1	noname	-0.0654
16	H1     0.8839     1.8214    -0.9646	H	1	noname	0.0377
17	H2     0.2805     3.3304    -0.0037	H	1	noname	0.0377
18	H3    -0.8745     3.9250     1.5281	H	1	noname	0.0573
19	H4    -1.7996     3.3578    -0.0167	H	1	noname	0.0573
20	H5     1.9942     3.0082     1.5784	H	1	noname	0.0352
21	H6     2.5976     1.4992     0.6176	H	1	noname	0.0352
22	H7    -3.7157     2.9478     1.2813	H	1	noname	0.0290
23	H8    -2.7905     3.5151     2.8261	H	1	noname	0.0290
24	H9    -2.6489     5.6747     1.9483	H	1	noname	0.0267
25	H10    -3.5741     5.1075     0.4034	H	1	noname	0.0267
26	H11     3.1283     3.6277    -2.2222	H	1	noname	0.0507
27	H12     1.3939     3.6404    -1.4766	H	1	noname	0.0507
28	H13    -5.4704     4.6772     1.6971	H	1	noname	0.0266
29	H14    -4.5452     5.2444     3.2419	H	1	noname	0.0266
30	H15     3.3834     5.8542    -1.3109	H	1	noname	0.1188
31	H16     1.6349     5.9102    -1.3109	H	1	noname	0.1188
32	H17    -4.4036     7.4041     2.3641	H	1	noname	0.0264
33	H18    -5.3287     6.8368     0.8192	H	1	noname	0.0264
34	H19    -6.3419     7.0181     3.6661	H	1	noname	0.0230
35	H20    -6.8396     8.0345     2.2923	H	1	noname	0.0230
36	H21    -7.2116     6.2938     2.2923	H	1	noname	0.0230
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	5	7	1
7	6	8	1
8	7	9	1
9	8	10	2
10	8	11	1
11	9	12	1
12	11	13	1
13	12	14	1
14	14	15	1
15	4	16	1
16	4	17	1
17	5	18	1
18	5	19	1
19	6	20	1
20	6	21	1
21	7	22	1
22	7	23	1
23	9	24	1
24	9	25	1
25	11	26	1
26	11	27	1
27	12	28	1
28	12	29	1
29	13	30	1
30	13	31	1
31	14	32	1
32	14	33	1
33	15	34	1
34	15	35	1
35	15	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1