@<TRIPOS>MOLECULE
60196328
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.5191     0.0169     0.3199	O.3	1	noname	-0.2452
2	O2    -1.6829    -1.9752     1.6466	O.3	1	noname	-0.2463
3	O3    -1.4345     4.6396     6.4096	O.3	1	noname	-0.3638
4	N1    -0.6774     4.7305     5.2931	N.3	1	noname	-0.1549
5	C1    -2.0228     2.9693     4.2648	C.3	1	noname	0.0160
6	C2    -0.6111     3.4235     4.6415	C.3	1	noname	0.0332
7	C3    -1.9566     1.6640     3.6140	C.2	1	noname	-0.0555
8	C4    -1.8087     1.5923     2.1918	C.2	1	noname	-0.0198
9	C5    -1.7182     0.2970     1.6172	C.2	1	noname	0.0292
10	C6    -2.0405     0.4786     4.4059	C.2	1	noname	-0.0616
11	C7     0.2457     3.5263     3.3780	C.3	1	noname	-0.0472
12	C8    -1.8068    -0.8671     2.3936	C.2	1	noname	0.0235
13	C9    -1.9823    -0.8178     3.8016	C.2	1	noname	-0.0195
14	C10    -1.7344    -1.4083     0.3223	C.3	1	noname	0.1587
15	H1    -2.6332     2.8960     5.1649	H	1	noname	0.0332
16	H2    -2.4674     3.6935     3.5822	H	1	noname	0.0332
17	H3    -0.1665     2.6993     5.3240	H	1	noname	0.0489
18	H4    -1.7700     2.4340     1.6171	H	1	noname	0.0654
19	H5    -2.1435     0.5568     5.4177	H	1	noname	0.0626
20	H6     0.2950     2.5519     2.8922	H	1	noname	0.0247
21	H7    -0.1990     4.2505     2.6955	H	1	noname	0.0247
22	H8     1.2513     3.8499     3.6464	H	1	noname	0.0247
23	H9    -2.0634    -1.6687     4.3581	H	1	noname	0.0651
24	H10     0.2656     5.0339     5.5447	H	1	noname	0.1547
25	H11    -2.7005    -1.6306    -0.1307	H	1	noname	0.0892
26	H12    -1.0068    -1.8987    -0.3243	H	1	noname	0.0892
27	H13    -1.4789     5.5158     6.8464	H	1	noname	0.2374
@<TRIPOS>BOND
1	1	9	1
2	1	14	1
3	2	12	1
4	2	14	1
5	3	4	1
6	3	27	1
7	4	6	1
8	4	24	1
9	5	6	1
10	5	7	1
11	5	15	1
12	5	16	1
13	6	11	1
14	6	17	1
15	7	8	2
16	7	10	1
17	8	9	1
18	8	18	1
19	9	12	2
20	10	13	2
21	10	19	1
22	11	20	1
23	11	21	1
24	11	22	1
25	12	13	1
26	13	23	1
27	14	25	1
28	14	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1