@<TRIPOS>MOLECULE
DB03719
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     4.3845    -0.9877     0.4838	O.2	1	noname	-0.2859
2	C1     3.3514    -1.1299     1.1730	C.2	1	noname	0.0531
3	N1     2.2215    -0.4994     0.8245	N.3	1	noname	-0.0703
4	C2     3.3759    -1.9828     2.3576	C.3	1	noname	0.1616
5	C3     1.9594    -0.2209    -0.5326	C.3	1	noname	-0.0001
6	O2     2.4396    -3.0220     2.2067	O.3	1	noname	-0.3414
7	C4     2.9510    -1.1684     3.5814	C.3	1	noname	0.1189
8	C5     0.6606    -0.9116    -0.9534	C.3	1	noname	-0.0522
9	C6     1.2177    -2.3885     2.5453	C.3	1	noname	0.1595
10	O3     3.7647    -1.5211     4.6905	O.3	1	noname	-0.3869
11	C7     1.5173    -1.6245     3.8370	C.3	1	noname	0.1262
12	N2     0.1450    -3.3340     2.5535	N.3	1	noname	0.0257
13	O4     0.6680    -0.4898     3.9236	O.3	1	noname	-0.3857
14	C8    -0.2022    -4.1028     1.4968	C.2	1	noname	0.1238
15	C9    -0.6889    -3.6779     3.5813	C.2	1	noname	-0.0362
16	N3     0.2834    -4.1701     0.2200	N.2	1	noname	-0.2441
17	C10    -1.2320    -4.9354     1.9593	C.2	1	noname	0.0254
18	N4    -1.5333    -4.6601     3.2232	N.2	1	noname	-0.2172
19	C11    -0.2372    -5.1052    -0.6423	C.2	1	noname	0.0503
20	C12    -1.7563    -5.8956     1.0727	C.2	1	noname	0.0729
21	N5    -1.2302    -5.9379    -0.1856	N.2	1	noname	-0.2575
22	N6    -2.7318    -6.7336     1.4494	N.3	1	noname	-0.1031
23	H1     1.5847    -0.2412     1.5647	H	1	noname	0.1310
24	H2     4.3659    -2.4318     2.4375	H	1	noname	0.0731
25	H3     1.8022     0.8567    -0.5808	H	1	noname	0.0430
26	H4     2.7811    -0.6770    -1.0847	H	1	noname	0.0430
27	H5     3.0807    -0.0902     3.4879	H	1	noname	0.0662
28	H6     0.1027    -1.2083    -0.0653	H	1	noname	0.0243
29	H7     0.0591    -0.2235    -1.5474	H	1	noname	0.0243
30	H8     0.8948    -1.7950    -1.5474	H	1	noname	0.0243
31	H9     0.8520    -1.7245     1.7621	H	1	noname	0.0853
32	H10     3.8151    -2.4773     4.7591	H	1	noname	0.2107
33	H11     1.3350    -2.1538     4.7722	H	1	noname	0.0674
34	H12     0.5097    -0.2783     4.8465	H	1	noname	0.2107
35	H13    -0.6813    -3.2219     4.5714	H	1	noname	0.1016
36	H14     0.1294    -5.1846    -1.6658	H	1	noname	0.1062
37	H15    -3.6694    -6.3858     1.5913	H	1	noname	0.1258
38	H16    -2.5295    -7.7129     1.5913	H	1	noname	0.1258
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	4	2	1
4	3	5	1
5	4	6	1
6	4	7	1
7	5	8	1
8	6	9	1
9	7	10	1
10	7	11	1
11	9	12	1
12	9	11	1
13	11	13	1
14	12	14	1
15	12	15	1
16	14	16	2
17	14	17	1
18	15	18	2
19	16	19	1
20	17	20	2
21	17	18	1
22	19	21	2
23	20	22	1
24	20	21	1
25	3	23	1
26	4	24	1
27	5	25	1
28	5	26	1
29	7	27	1
30	8	28	1
31	8	29	1
32	8	30	1
33	9	31	1
34	10	32	1
35	11	33	1
36	13	34	1
37	15	35	1
38	19	36	1
39	22	37	1
40	22	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1