@<TRIPOS>MOLECULE
92135793
27 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.9707    -1.8268    -0.3999	O.2	1	noname	-0.2902
2	O2    -1.8435     1.1162    -0.1003	O.2	1	noname	-0.2850
3	O3     0.3082     4.1263    -0.6781	O.3	1	noname	-0.3808
4	N1    -0.0653    -0.0731     0.0158	N.3	1	noname	0.0752
5	N2    -0.0447     2.2988     0.5935	N.3	1	noname	-0.0508
6	C1     2.7568     1.0464     0.8216	C.3	1	noname	-0.0261
7	C2     2.5210    -0.2581     0.1986	C.2	1	noname	0.0281
8	C3     1.1888    -0.6551    -0.0299	C.2	1	noname	0.0569
9	C4     3.1671     2.1369    -0.1889	C.3	1	noname	-0.0611
10	C5     3.6254    -1.0242    -0.0712	C.2	1	noname	-0.0351
11	C6     3.7021    -2.4014    -0.5349	C.3	1	noname	-0.0462
12	C7    -0.6300     1.1339     0.2078	C.2	1	noname	0.0053
13	C8    -0.5897     3.5750     0.2735	C.3	1	noname	0.1007
14	H1     1.8592     1.3628     1.3530	H	1	noname	0.0314
15	H2     3.6114     0.9539     1.4917	H	1	noname	0.0314
16	H3     3.3266     3.0782     0.3370	H	1	noname	0.0234
17	H4     2.3762     2.2633    -0.9283	H	1	noname	0.0234
18	H5     4.0886     1.8399    -0.6898	H	1	noname	0.0234
19	H6     4.5289    -0.6592     0.0721	H	1	noname	0.0577
20	H7    -0.7463    -0.7277    -0.2074	H	1	noname	0.1417
21	H8     4.2437    -3.0014     0.1964	H	1	noname	0.0273
22	H9     2.6951    -2.8001    -0.6578	H	1	noname	0.0273
23	H10     4.2251    -2.4343    -1.4907	H	1	noname	0.0273
24	H11     0.7996     2.2539     1.0566	H	1	noname	0.1347
25	H12    -1.5706     3.4468    -0.1842	H	1	noname	0.0740
26	H13    -0.5827     4.2357     1.1405	H	1	noname	0.0740
27	H14    -0.0061     5.0146    -0.9474	H	1	noname	0.2118
@<TRIPOS>BOND
1	1	8	2
2	2	12	2
3	3	13	1
4	3	27	1
5	4	8	1
6	4	12	1
7	4	20	1
8	5	12	1
9	5	13	1
10	5	24	1
11	6	7	1
12	6	9	1
13	6	14	1
14	6	15	1
15	7	8	1
16	7	10	2
17	9	16	1
18	9	17	1
19	9	18	1
20	10	11	1
21	10	19	1
22	11	21	1
23	11	22	1
24	11	23	1
25	13	25	1
26	13	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1