@<TRIPOS>MOLECULE
DB02066
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.6772    -0.5288     0.2201	O.3	1	noname	-0.3607
2	C1    -1.7733     0.5499     0.3848	C.3	1	noname	0.1281
3	C2    -3.4238    -0.0894    -0.9167	C.3	1	noname	0.1101
4	C3    -0.7865     0.2268     1.4255	C.2	1	noname	-0.0189
5	C4    -1.2297     0.7971    -1.0328	C.3	1	noname	0.1143
6	C5    -2.4496     0.5647    -1.9041	C.3	1	noname	0.1113
7	C6    -4.0938    -1.2929    -1.5830	C.3	1	noname	0.0721
8	N1    -1.1068    -0.0363     2.7119	N.3	1	noname	-0.0078
9	C7     0.5886     0.1115     1.3157	C.2	1	noname	0.1047
10	O2    -0.8142     2.1498    -1.1511	O.3	1	noname	-0.3871
11	O3    -2.9735     1.8146    -2.3281	O.3	1	noname	-0.3874
12	O4    -4.9678    -1.9209    -0.6566	O.3	1	noname	-0.3934
13	N2    -0.0402    -0.3064     3.4094	N.2	1	noname	-0.2650
14	N3     1.4282     0.2489     0.2427	N.2	1	noname	-0.2336
15	C8     1.0255    -0.2300     2.5962	C.2	1	noname	0.0650
16	C9     2.7641     0.0482     0.4174	C.2	1	noname	0.0518
17	C10     2.4087    -0.4358     2.7729	C.2	1	noname	0.0844
18	N4     3.2181    -0.2858     1.6677	N.2	1	noname	-0.2303
19	N5     2.9166    -0.7644     3.9685	N.3	1	noname	-0.0939
20	C11     3.5708    -2.0099     3.8751	C.3	1	noname	-0.0100
21	H1    -2.2539     1.4356     0.8003	H	1	noname	0.0698
22	H2    -4.1713     0.6137    -0.5492	H	1	noname	0.0656
23	H3    -0.3456     0.2246    -1.3133	H	1	noname	0.0660
24	H4    -2.2691     0.0273    -2.8351	H	1	noname	0.0657
25	H5    -4.7352    -0.9224    -2.3826	H	1	noname	0.0591
26	H6    -3.3221    -2.0310    -1.8011	H	1	noname	0.0591
27	H7    -2.0365    -0.0316     3.1066	H	1	noname	0.1752
28	H8    -0.6984     2.5268    -0.2759	H	1	noname	0.2107
29	H9    -3.1960     2.3455    -1.5599	H	1	noname	0.2106
30	H10    -4.6853    -1.7179     0.2381	H	1	noname	0.2101
31	H11     3.4520     0.1523    -0.4217	H	1	noname	0.1062
32	H12     2.8237    -0.1815     4.7881	H	1	noname	0.1293
33	H13     3.7711    -2.3912     4.8764	H	1	noname	0.0396
34	H14     2.9357    -2.7146     3.3383	H	1	noname	0.0396
35	H15     4.5115    -1.8869     3.3383	H	1	noname	0.0396
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	3	7	1
7	4	8	1
8	4	9	2
9	5	10	1
10	5	6	1
11	6	11	1
12	7	12	1
13	8	13	1
14	9	14	1
15	9	15	1
16	13	15	2
17	14	16	2
18	15	17	1
19	16	18	1
20	17	19	1
21	17	18	2
22	19	20	1
23	2	21	1
24	3	22	1
25	5	23	1
26	6	24	1
27	7	25	1
28	7	26	1
29	8	27	1
30	10	28	1
31	11	29	1
32	12	30	1
33	16	31	1
34	19	32	1
35	20	33	1
36	20	34	1
37	20	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1