@<TRIPOS>MOLECULE
DB01170
36 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     0.4435    -0.5716    -3.8082	N.2	1	noname	-0.2635
2	C1     0.4560     0.1810    -4.8373	C.2	1	noname	-0.1441
3	C2     0.2138    -0.0320    -2.5645	C.3	1	noname	0.0546
4	N2     0.6749    -0.3331    -6.0221	N.3	1	noname	-0.1342
5	N3     0.2501     1.4684    -4.7097	N.3	1	noname	-0.1342
6	C3     0.2513    -1.1420    -1.5121	C.3	1	noname	0.0180
7	N4     0.0071    -0.5682    -0.1898	N.3	1	noname	-0.3014
8	C4    -1.3148     0.0800    -0.1725	C.3	1	noname	-0.0017
9	C5     0.0805    -1.6304     0.8273	C.3	1	noname	-0.0017
10	C6    -1.2796     1.4786     0.4716	C.3	1	noname	-0.0404
11	C7     0.9231    -1.2215     2.0500	C.3	1	noname	-0.0404
12	C8    -1.3155     1.4569     2.0128	C.3	1	noname	-0.0521
13	C9     0.1611    -0.3531     3.0709	C.3	1	noname	-0.0521
14	C10     0.0405     1.1321     2.6723	C.3	1	noname	-0.0532
15	H1     1.0544     0.6397    -2.3909	H	1	noname	0.0528
16	H2    -0.8000     0.3652    -2.6142	H	1	noname	0.0528
17	H3    -0.1009    -0.5313    -6.6378	H	1	noname	0.1267
18	H4     1.6194    -0.5313    -6.3200	H	1	noname	0.1267
19	H5     1.0344     2.1029    -4.6606	H	1	noname	0.1267
20	H6    -0.6930     1.8265    -4.6606	H	1	noname	0.1267
21	H7    -0.5870    -1.8102    -1.7090	H	1	noname	0.0449
22	H8     1.2674    -1.5356    -1.4856	H	1	noname	0.0449
23	H9    -1.5797     0.2196    -1.2206	H	1	noname	0.0430
24	H10    -1.9344    -0.5487     0.4670	H	1	noname	0.0430
25	H11    -0.9431    -1.7637     1.1773	H	1	noname	0.0430
26	H12     0.6028    -2.4556     0.3432	H	1	noname	0.0430
27	H13    -0.3135     1.9053     0.2023	H	1	noname	0.0279
28	H14    -2.1997     1.9725     0.1594	H	1	noname	0.0279
29	H15     1.1631    -2.1495     2.5690	H	1	noname	0.0279
30	H16     1.7235    -0.5915     1.6618	H	1	noname	0.0279
31	H17    -1.5566     2.4753     2.3175	H	1	noname	0.0267
32	H18    -1.9799     0.6358     2.2818	H	1	noname	0.0267
33	H19    -0.8580    -0.7395     3.0857	H	1	noname	0.0267
34	H20     0.7630    -0.3680     3.9795	H	1	noname	0.0267
35	H21     0.7980     1.3030     1.9074	H	1	noname	0.0266
36	H22     0.0682     1.6987     3.6030	H	1	noname	0.0266
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	6	7	1
7	7	8	1
8	7	9	1
9	8	10	1
10	9	11	1
11	10	12	1
12	11	13	1
13	12	14	1
14	13	14	1
15	3	15	1
16	3	16	1
17	4	17	1
18	4	18	1
19	5	19	1
20	5	20	1
21	6	21	1
22	6	22	1
23	8	23	1
24	8	24	1
25	9	25	1
26	9	26	1
27	10	27	1
28	10	28	1
29	11	29	1
30	11	30	1
31	12	31	1
32	12	32	1
33	13	33	1
34	13	34	1
35	14	35	1
36	14	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1