@<TRIPOS>MOLECULE
91936937
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     5.4538    -1.9931     0.8247	O.3	1	noname	-0.1876
2	O2     0.6059    -3.2192    -2.5559	O.3	1	noname	-0.3242
3	O3     5.3812    -4.2478    -0.0488	O.2	1	noname	-0.2383
4	O4    -1.1703    -2.5479    -4.3106	O.3	1	noname	-0.2167
5	O5    -1.4631    -4.5065    -4.1772	O.2	1	noname	-0.2450
6	N1     4.4056    -2.2735    -1.0371	N.3	1	noname	0.0982
7	N2     3.2225    -2.4552    -1.4519	N.2	1	noname	-0.2406
8	N3    -1.5088    -3.5145    -3.5681	N.2	1	noname	-0.1664
9	C1     5.9081    -0.9281    -0.0122	C.3	1	noname	0.0811
10	C2     5.1232    -1.0902    -1.3203	C.3	1	noname	0.0574
11	C3     7.4029    -1.0997    -0.2897	C.3	1	noname	-0.0366
12	C4     5.1197    -3.0260    -0.0831	C.2	1	noname	0.0992
13	C5     2.3522    -3.2022    -0.8889	C.2	1	noname	0.0617
14	C6     1.1015    -3.4327    -1.3277	C.2	1	noname	0.0605
15	C7     0.1210    -3.9811    -0.5149	C.2	1	noname	0.0313
16	C8    -0.6925    -3.5896    -2.5527	C.2	1	noname	0.1176
17	C9    -1.0130    -4.0628    -1.2903	C.2	1	noname	0.0512
18	H1     5.7705     0.0529     0.4427	H	1	noname	0.0621
19	H2     4.4257    -0.2599    -1.4308	H	1	noname	0.0484
20	H3     5.8339    -1.2528    -2.1307	H	1	noname	0.0484
21	H4     7.7496    -0.2871    -0.9281	H	1	noname	0.0257
22	H5     7.5724    -2.0529    -0.7905	H	1	noname	0.0257
23	H6     7.9517    -1.0813     0.6519	H	1	noname	0.0257
24	H7     2.6237    -3.6539    -0.0508	H	1	noname	0.0881
25	H8     0.2201    -4.2660     0.4594	H	1	noname	0.0652
26	H9    -1.9244    -4.4089    -0.9902	H	1	noname	0.0680
27	H10    -1.7833    -2.4915    -5.0731	H	1	noname	0.2598
28	H11    -2.3804    -3.3790    -3.2580	H	1	noname	0.2799
@<TRIPOS>BOND
1	1	9	1
2	1	12	1
3	2	14	1
4	2	16	1
5	3	12	2
6	4	8	1
7	4	27	1
8	5	8	2
9	6	7	1
10	6	10	1
11	6	12	1
12	7	13	2
13	8	16	1
14	8	28	1
15	9	10	1
16	9	11	1
17	9	18	1
18	10	19	1
19	10	20	1
20	11	21	1
21	11	22	1
22	11	23	1
23	13	14	1
24	13	24	1
25	14	15	2
26	15	17	1
27	15	25	1
28	16	17	2
29	17	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1