@<TRIPOS>MOLECULE
90479592
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.6922    -4.1675     0.8502	O.3	1	noname	-0.2123
2	N1     0.6004    -0.4107     0.7017	N.3	1	noname	-0.3029
3	N2     2.3675    -3.2496     0.0426	N.2	1	noname	-0.2163
4	C1     1.7923     0.0978     0.0410	C.3	1	noname	0.0146
5	C2     1.2477     1.1228    -0.9482	C.3	1	noname	-0.0360
6	C3    -0.0560     0.4687    -1.4192	C.3	1	noname	-0.0389
7	C4    -0.2927    -0.6720    -0.4327	C.3	1	noname	-0.0017
8	C5     2.4746    -1.0375    -0.7248	C.3	1	noname	0.0033
9	C6     0.0252     0.6372     1.5435	C.3	1	noname	-0.0130
10	C7     2.8417    -2.0751     0.1882	C.2	1	noname	0.0584
11	C8     3.7406    -1.7953     1.2646	C.3	1	noname	-0.0239
12	H1     2.5197     0.5183     0.7354	H	1	noname	0.0470
13	H2     1.0196     2.0499    -0.4222	H	1	noname	0.0283
14	H3     1.9373     1.3500    -1.7611	H	1	noname	0.0283
15	H4    -0.8712     1.1884    -1.3448	H	1	noname	0.0280
16	H5     0.0150     0.0581    -2.4264	H	1	noname	0.0280
17	H6    -1.3280    -0.6494    -0.0927	H	1	noname	0.0430
18	H7     0.0192    -1.5916    -0.9278	H	1	noname	0.0430
19	H8     1.7877    -1.4365    -1.4711	H	1	noname	0.0345
20	H9     3.3677    -0.6564    -1.2199	H	1	noname	0.0345
21	H10    -0.8679     0.2561     2.0386	H	1	noname	0.0394
22	H11    -0.2400     1.4950     0.9255	H	1	noname	0.0394
23	H12     0.7547     0.9417     2.2940	H	1	noname	0.0394
24	H13     3.1727    -1.4773     2.1389	H	1	noname	0.0293
25	H14     4.3080    -2.6939     1.5070	H	1	noname	0.0293
26	H15     4.4263    -1.0015     0.9683	H	1	noname	0.0293
27	H16     2.2424    -5.0003     0.5963	H	1	noname	0.2481
@<TRIPOS>BOND
1	1	3	1
2	1	27	1
3	2	4	1
4	2	7	1
5	2	9	1
6	3	10	2
7	4	5	1
8	4	8	1
9	4	12	1
10	5	6	1
11	5	13	1
12	5	14	1
13	6	7	1
14	6	15	1
15	6	16	1
16	7	17	1
17	7	18	1
18	8	10	1
19	8	19	1
20	8	20	1
21	9	21	1
22	9	22	1
23	9	23	1
24	10	11	1
25	11	24	1
26	11	25	1
27	11	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1