@<TRIPOS>MOLECULE
DB01154
35 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.7265    -1.7521     0.3042	S.2	1	noname	-0.1147
2	C1     0.0188    -0.2381     0.0982	C.2	1	noname	-0.0147
3	N1     1.4929    -0.0817    -0.1405	N.3	1	noname	0.0465
4	N2    -0.7414     1.0562     0.1395	N.3	1	noname	0.0465
5	C2     1.7705     1.1246    -0.9794	C.2	1	noname	0.0793
6	C3     0.1187     2.1610     0.6653	C.2	1	noname	0.0793
7	O1     2.2860     1.0829    -2.1174	O.2	1	noname	-0.2855
8	C4     1.3393     2.4405    -0.2635	C.3	1	noname	0.1237
9	O2    -0.1133     2.7856     1.7229	O.2	1	noname	-0.2855
10	C5     2.5053     2.9719     0.5725	C.3	1	noname	-0.0215
11	C6     1.0177     3.4349    -1.3809	C.3	1	noname	-0.0126
12	C7     3.7031     3.2461    -0.3390	C.3	1	noname	-0.0494
13	C8     2.8933     1.9319     1.6256	C.3	1	noname	-0.0610
14	C9     0.6099     4.6801    -0.8081	C.2	1	noname	-0.0946
15	C10     4.8691     3.7775     0.4971	C.3	1	noname	-0.0558
16	C11     0.2796     5.6986    -1.5970	C.2	1	noname	-0.0985
17	C12     6.0669     4.0517    -0.4145	C.3	1	noname	-0.0654
18	H1     2.2032    -0.7051     0.2158	H	1	noname	0.1389
19	H2    -1.7030     1.1686    -0.1481	H	1	noname	0.1389
20	H3     2.2062     3.8959     1.0673	H	1	noname	0.0315
21	H4     1.9425     3.6479    -1.9170	H	1	noname	0.0325
22	H5     0.1477     3.0623    -1.9216	H	1	noname	0.0325
23	H6     4.0182     2.2839    -0.7427	H	1	noname	0.0269
24	H7     3.4077     4.0497    -1.0136	H	1	noname	0.0269
25	H8     2.7382     2.3477     2.6212	H	1	noname	0.0234
26	H9     2.2753     1.0425     1.5029	H	1	noname	0.0234
27	H10     3.9429     1.6648     1.5029	H	1	noname	0.0234
28	H11     0.5489     4.8588     0.2655	H	1	noname	0.0570
29	H12     4.5541     4.7397     0.9007	H	1	noname	0.0264
30	H13     5.1645     2.9739     1.1716	H	1	noname	0.0264
31	H14     1.0422     6.4072    -1.9203	H	1	noname	0.0534
32	H15    -0.7537     5.8248    -1.9203	H	1	noname	0.0534
33	H16     6.9482     4.2535     0.1944	H	1	noname	0.0230
34	H17     6.2516     3.1810    -1.0436	H	1	noname	0.0230
35	H18     5.8544     4.9161    -1.0436	H	1	noname	0.0230
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	5	7	2
7	5	8	1
8	6	9	2
9	6	8	1
10	8	10	1
11	8	11	1
12	10	12	1
13	10	13	1
14	11	14	1
15	12	15	1
16	14	16	2
17	15	17	1
18	3	18	1
19	4	19	1
20	10	20	1
21	11	21	1
22	11	22	1
23	12	23	1
24	12	24	1
25	13	25	1
26	13	26	1
27	13	27	1
28	14	28	1
29	15	29	1
30	15	30	1
31	16	31	1
32	16	32	1
33	17	33	1
34	17	34	1
35	17	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1