@<TRIPOS>MOLECULE
DB00998
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.2683    -3.3098    -4.7390	O.2	1	noname	-0.2976
2	C1    -0.3379    -2.6894    -3.8389	C.2	1	noname	0.0083
3	N1    -1.0593    -3.3611    -2.9312	N.3	1	noname	-0.0882
4	C2    -0.2636    -1.3026    -3.7796	C.2	1	noname	-0.0052
5	C3    -0.9641    -0.6088    -2.7420	C.2	1	noname	-0.0004
6	C4     0.5123    -0.6011    -4.7582	C.2	1	noname	-0.0115
7	C5    -0.8352     0.8168    -2.7284	C.2	1	noname	-0.0206
8	C6     0.6323     0.8195    -4.7340	C.2	1	noname	-0.0327
9	C7    -0.0561     1.5124    -3.6866	C.2	1	noname	-0.0844
10	C8    -1.3229     1.7769    -1.8408	C.2	1	noname	-0.0260
11	N2    -0.0735     2.8265    -3.3685	N.3	1	noname	-0.0839
12	C9    -0.8031     3.0110    -2.2543	C.2	1	noname	-0.1183
13	C10    -2.1245     1.5922    -0.5917	C.3	1	noname	0.0267
14	C11    -0.8851     4.2581    -1.4620	C.3	1	noname	0.0133
15	C12    -1.5665     2.5657     0.5062	C.3	1	noname	0.0110
16	C13    -1.4568     4.0315    -0.0138	C.3	1	noname	-0.0321
17	N3    -2.4386     2.5286     1.6791	N.3	1	noname	-0.3166
18	C14    -2.4821     1.1675     2.2111	C.3	1	noname	-0.0161
19	H1    -1.9273    -2.9741    -2.5891	H	1	noname	0.1274
20	H2    -0.7351    -4.2544    -2.5891	H	1	noname	0.1274
21	H3    -1.5639    -1.1379    -2.0015	H	1	noname	0.0637
22	H4     1.0239    -1.1618    -5.5405	H	1	noname	0.0631
23	H5     1.2224     1.3507    -5.4808	H	1	noname	0.0642
24	H6     0.3891     3.5604    -3.8857	H	1	noname	0.1524
25	H7    -3.1393     1.9085    -0.8329	H	1	noname	0.0332
26	H8    -1.9365     0.5715    -0.2587	H	1	noname	0.0332
27	H9     0.1481     4.5873    -1.3516	H	1	noname	0.0329
28	H10    -1.6017     4.8819    -1.9964	H	1	noname	0.0329
29	H11    -0.5847     2.2271     0.8371	H	1	noname	0.0468
30	H12    -0.7397     4.5098     0.6534	H	1	noname	0.0286
31	H13    -2.4857     4.3892    -0.0547	H	1	noname	0.0286
32	H14    -2.9343     3.3207     2.0624	H	1	noname	0.1221
33	H15    -2.4809     1.2031     3.3006	H	1	noname	0.0391
34	H16    -3.3884     0.6708     1.8648	H	1	noname	0.0391
35	H17    -1.6093     0.6140     1.8648	H	1	noname	0.0391
@<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	7	10	1
10	8	9	1
11	9	11	1
12	10	12	2
13	10	13	1
14	11	12	1
15	12	14	1
16	13	15	1
17	14	16	1
18	15	17	1
19	15	16	1
20	17	18	1
21	3	19	1
22	3	20	1
23	5	21	1
24	6	22	1
25	8	23	1
26	11	24	1
27	13	25	1
28	13	26	1
29	14	27	1
30	14	28	1
31	15	29	1
32	16	30	1
33	16	31	1
34	17	32	1
35	18	33	1
36	18	34	1
37	18	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1