@<TRIPOS>MOLECULE
DB02632
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.8412    -1.9870    -0.2582	O.2	1	noname	-0.1450
2	N1     1.7581    -1.6121    -0.0492	N.2	1	noname	-0.0183
3	O2     0.7806    -2.4068    -0.1639	O.3	1	noname	-0.1450
4	C1     1.5533    -0.3725     0.3034	C.2	1	noname	0.0238
5	C2     2.5762     0.3198     1.0408	C.2	1	noname	0.0377
6	C3     0.3176     0.2552    -0.0562	C.2	1	noname	0.0377
7	C4     2.3797     1.6968     1.3579	C.2	1	noname	0.0006
8	C5     0.1181     1.6270     0.2688	C.2	1	noname	0.0006
9	C6     1.1904     2.3684     0.8984	C.2	1	noname	0.0346
10	O3     1.1262     3.7481     0.9499	O.3	1	noname	-0.2490
11	C7     1.7419     4.4184    -0.2222	C.3	1	noname	0.1922
12	O4     1.8100     5.8704     0.0490	O.3	1	noname	-0.3409
13	C8     1.0307     4.0279    -1.5827	C.3	1	noname	0.1338
14	C9     1.5754     6.8376    -1.0194	C.3	1	noname	0.1124
15	O5     1.9549     4.1548    -2.6533	O.3	1	noname	-0.3849
16	C10    -0.1383     5.0051    -1.7957	C.3	1	noname	0.1134
17	C11     0.3623     6.4736    -1.9290	C.3	1	noname	0.1112
18	C12     1.3595     8.2254    -0.4126	C.3	1	noname	0.0722
19	O6    -1.0401     4.9098    -0.7030	O.3	1	noname	-0.3873
20	O7    -0.7110     7.3653    -1.6658	O.3	1	noname	-0.3874
21	O8     2.5127     8.6045     0.3242	O.3	1	noname	-0.3934
22	H1     3.4864    -0.1913     1.3544	H	1	noname	0.0648
23	H2    -0.4626    -0.3050    -0.5716	H	1	noname	0.0648
24	H3     3.1288     2.2291     1.9440	H	1	noname	0.0650
25	H4    -0.8367     2.1003     0.0400	H	1	noname	0.0650
26	H5     2.7808     4.0957    -0.2906	H	1	noname	0.0956
27	H6     0.7065     2.9886    -1.6361	H	1	noname	0.0682
28	H7     2.4922     6.7941    -1.6073	H	1	noname	0.0657
29	H8     2.2160     3.2820    -2.9559	H	1	noname	0.2108
30	H9    -0.7130     4.7088    -2.6732	H	1	noname	0.0658
31	H10     0.6492     6.6427    -2.9668	H	1	noname	0.0657
32	H11     1.2872     8.9436    -1.2294	H	1	noname	0.0591
33	H12     0.5568     8.1520     0.3211	H	1	noname	0.0591
34	H13    -1.2046     3.9852    -0.5036	H	1	noname	0.2106
35	H14    -0.8238     7.4591    -0.7171	H	1	noname	0.2106
36	H15     2.3264     8.5432     1.2640	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	5	7	1
7	6	8	2
8	7	9	2
9	8	9	1
10	9	10	1
11	11	10	1
12	11	12	1
13	11	13	1
14	12	14	1
15	13	15	1
16	13	16	1
17	14	17	1
18	14	18	1
19	16	19	1
20	16	17	1
21	17	20	1
22	18	21	1
23	5	22	1
24	6	23	1
25	7	24	1
26	8	25	1
27	11	26	1
28	13	27	1
29	14	28	1
30	15	29	1
31	16	30	1
32	17	31	1
33	18	32	1
34	18	33	1
35	19	34	1
36	20	35	1
37	21	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1