@<TRIPOS>MOLECULE
87289511
25 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.4020    -0.2393     0.0964	O.2	1	noname	-0.2962
2	O2    -3.2585    -0.3930     1.5430	O.3	1	noname	-0.2139
3	O3    -2.2553     0.2703    -0.3613	O.2	1	noname	-0.2495
4	N1    -0.1880     0.7504    -1.1387	N.3	1	noname	-0.0790
5	N2    -2.0980    -2.9165     0.6390	N.3	1	noname	-0.3190
6	N3    -0.9321     4.0883     0.2117	N.3	1	noname	-0.3291
7	C1    -0.4160    -1.5874    -0.5332	C.3	1	noname	0.0459
8	C2    -1.3689    -1.6495     0.6622	C.3	1	noname	0.0995
9	C3     0.3121    -0.3221    -0.5100	C.2	1	noname	0.0385
10	C4     0.0901     2.0450    -0.6542	C.3	1	noname	0.0150
11	C5    -1.2204     2.7459    -0.2908	C.3	1	noname	0.0054
12	C6    -2.3164    -0.5412     0.5874	C.2	1	noname	0.1439
13	H1    -0.9882    -1.6603    -1.4581	H	1	noname	0.0382
14	H2     0.2914    -2.4147    -0.4774	H	1	noname	0.0382
15	H3    -0.7967    -1.5765     1.5871	H	1	noname	0.0576
16	H4     0.6072     2.6178    -1.4240	H	1	noname	0.0446
17	H5     0.7217     1.9736     0.2314	H	1	noname	0.0446
18	H6    -0.7413     0.6361    -1.9272	H	1	noname	0.1310
19	H7    -1.8520     2.8173    -1.1763	H	1	noname	0.0438
20	H8    -1.7375     2.1732     0.4791	H	1	noname	0.0438
21	H9    -2.7345    -2.9579     1.4375	H	1	noname	0.1192
22	H10    -2.6345    -2.9849    -0.2282	H	1	noname	0.1192
23	H11    -1.8075     4.5565     0.4544	H	1	noname	0.1184
24	H12    -0.4473     4.6253    -0.5102	H	1	noname	0.1184
25	H13    -3.5891     0.5011     1.7706	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	9	2
2	2	12	1
3	2	25	1
4	3	12	2
5	4	9	1
6	4	10	1
7	4	18	1
8	8	5	1
9	5	21	1
10	5	22	1
11	6	11	1
12	6	23	1
13	6	24	1
14	7	8	1
15	7	9	1
16	7	13	1
17	7	14	1
18	8	12	1
19	8	15	1
20	10	11	1
21	10	16	1
22	10	17	1
23	11	19	1
24	11	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1