@<TRIPOS>MOLECULE
90479214
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.9443     0.3249    -2.0628	O.3	1	noname	-0.3426
2	O2     1.9952     3.9026    -0.4482	O.3	1	noname	-0.3884
3	O3     2.6269     3.3675    -3.4790	O.3	1	noname	-0.3874
4	O4     1.1559    -0.6495     0.0708	O.3	1	noname	-0.3664
5	O5     0.5582    -0.0238    -4.8533	O.3	1	noname	-0.3934
6	N1     3.5066     0.7178    -0.2142	N.3	1	noname	-0.3102
7	C1     2.2686     1.4953    -0.2034	C.3	1	noname	0.0869
8	C2     2.4260     2.7371    -1.1355	C.3	1	noname	0.1028
9	C3     1.7788     2.7013    -2.5553	C.3	1	noname	0.1102
10	C4     1.5189     1.2463    -3.0451	C.3	1	noname	0.1123
11	C5     1.0800     0.5843    -0.6282	C.3	1	noname	0.1729
12	C6     0.6339     1.2787    -4.2928	C.3	1	noname	0.0722
13	C7     4.6090     1.5501     0.2648	C.3	1	noname	-0.0158
14	H1     2.1307     1.7860     0.8380	H	1	noname	0.0546
15	H2     3.4984     2.8805    -1.2683	H	1	noname	0.0647
16	H3     0.8087     3.1959    -2.5066	H	1	noname	0.0656
17	H4     2.5032     0.8409    -3.2796	H	1	noname	0.0657
18	H5     0.1810     1.1333    -0.3478	H	1	noname	0.0938
19	H6    -0.3662     1.6156    -4.0201	H	1	noname	0.0591
20	H7     1.0616     1.9646    -5.0240	H	1	noname	0.0591
21	H8     3.7046     0.4056    -1.1670	H	1	noname	0.1224
22	H9     1.0541     3.8025    -0.1935	H	1	noname	0.2106
23	H10     2.7479     4.2986    -3.1986	H	1	noname	0.2106
24	H11     0.3402    -1.1677    -0.0918	H	1	noname	0.2133
25	H12     5.5321     0.9704     0.2568	H	1	noname	0.0391
26	H13     4.3979     1.8830     1.2810	H	1	noname	0.0391
27	H14     4.7190     2.4174    -0.3862	H	1	noname	0.0391
28	H15    -0.0087    -0.0031    -5.6524	H	1	noname	0.2101
@<TRIPOS>BOND
1	1	10	1
2	1	11	1
3	8	2	1
4	2	22	1
5	9	3	1
6	3	23	1
7	11	4	1
8	4	24	1
9	5	12	1
10	5	28	1
11	7	6	1
12	6	13	1
13	6	21	1
14	7	8	1
15	7	11	1
16	7	14	1
17	8	9	1
18	8	15	1
19	9	10	1
20	9	16	1
21	10	12	1
22	10	17	1
23	11	18	1
24	12	19	1
25	12	20	1
26	13	25	1
27	13	26	1
28	13	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1