@<TRIPOS>MOLECULE
DB02833
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.4565    -1.0734    -4.2018	S.3	1	noname	-0.2127
2	C1    -0.6651     0.3913    -5.1520	C.2	1	noname	0.0956
3	C2    -2.0525    -1.1643    -3.4493	C.2	1	noname	0.0162
4	N1    -1.9380     0.7446    -4.8543	N.2	1	noname	-0.2271
5	N2     0.2105     1.0012    -5.9626	N.3	1	noname	-0.0904
6	C3    -2.5635    -2.1339    -2.5405	C.2	1	noname	0.0363
7	C4    -2.6712    -0.0232    -3.9930	C.2	1	noname	0.0475
8	N3    -3.8583    -2.0218    -2.0620	N.2	1	noname	-0.2107
9	C5    -1.7199    -3.2133    -2.1376	C.2	1	noname	-0.0073
10	C6    -4.0462     0.3279    -3.6497	C.3	1	noname	0.0440
11	C7    -4.4133    -2.9187    -1.1859	C.2	1	noname	0.0919
12	C8    -2.3047    -4.1324    -1.2328	C.2	1	noname	0.0160
13	N4    -3.5959    -3.9526    -0.8040	N.2	1	noname	-0.2268
14	N5    -5.6684    -2.7941    -0.7334	N.3	1	noname	0.0330
15	C9    -5.6679    -2.0624     0.3892	C.2	1	noname	-0.0026
16	C10    -6.8637    -1.7965     1.0460	C.2	1	noname	0.0303
17	C11    -4.4715    -1.5693     0.8969	C.2	1	noname	-0.0212
18	C12    -6.8632    -1.0376     2.2106	C.2	1	noname	0.0332
19	C13    -4.4710    -0.8103     2.0614	C.2	1	noname	-0.0345
20	N6    -7.9859    -0.7880     2.8272	N.2	1	noname	-0.0150
21	C14    -5.6669    -0.5445     2.7182	C.2	1	noname	0.0066
22	O1    -8.8644    -1.5509     2.7693	O.2	1	noname	-0.1446
23	O2    -8.1202     0.2824     3.4879	O.3	1	noname	-0.1446
24	H1     1.0404     0.5133    -6.2680	H	1	noname	0.1266
25	H2     0.0405     1.9488    -6.2680	H	1	noname	0.1266
26	H3    -0.6972    -3.3282    -2.4968	H	1	noname	0.0662
27	H4    -4.1542     0.3555    -2.5654	H	1	noname	0.0296
28	H5    -4.2852     1.3075    -4.0637	H	1	noname	0.0296
29	H6    -4.7256    -0.4171    -4.0637	H	1	noname	0.0296
30	H7    -1.7509    -4.9939    -0.8597	H	1	noname	0.0841
31	H8    -6.4880    -3.1903    -1.1708	H	1	noname	0.1373
32	H9    -7.8018    -2.1832     0.6479	H	1	noname	0.0663
33	H10    -3.5338    -1.7778     0.3818	H	1	noname	0.0639
34	H11    -3.5329    -0.4236     2.4595	H	1	noname	0.0623
35	H12    -5.6664     0.0507     3.6314	H	1	noname	0.0647
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	1
6	3	7	2
7	4	7	1
8	6	8	2
9	6	9	1
10	7	10	1
11	8	11	1
12	9	12	2
13	11	13	2
14	11	14	1
15	12	13	1
16	14	15	1
17	15	16	2
18	15	17	1
19	16	18	1
20	17	19	2
21	18	20	1
22	18	21	2
23	19	21	1
24	20	22	2
25	20	23	1
26	5	24	1
27	5	25	1
28	9	26	1
29	10	27	1
30	10	28	1
31	10	29	1
32	12	30	1
33	14	31	1
34	16	32	1
35	17	33	1
36	19	34	1
37	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1