@<TRIPOS>MOLECULE
92135758
27 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.6155    -2.0533    -1.2481	O.2	1	noname	-0.2765
2	O2    -3.9152     1.0881    -0.8034	O.2	1	noname	-0.2622
3	O3    -3.9018    -1.7557    -3.9837	O.3	1	noname	-0.2145
4	O4    -2.3455    -0.1772    -3.5852	O.2	1	noname	-0.2503
5	N1    -1.8582     1.5880     0.0474	N.3	1	noname	-0.0870
6	N2    -2.2579    -0.4738    -1.0370	N.3	1	noname	0.1076
7	N3     1.2437    -0.1016     0.0088	N.3	1	noname	0.0028
8	N4     0.5020     1.8849     0.7171	N.2	1	noname	-0.1982
9	C1    -0.0748    -0.0316    -0.2212	C.2	1	noname	-0.0038
10	C2    -0.5512     1.2081     0.2141	C.2	1	noname	0.0878
11	C3    -0.9749    -0.9200    -0.8621	C.2	1	noname	0.0771
12	C4    -2.7280     0.7509    -0.6051	C.2	1	noname	0.0965
13	C5    -3.1624    -1.3246    -1.7050	C.3	1	noname	0.1013
14	C6     1.5806     1.0841     0.5645	C.2	1	noname	-0.0165
15	C7    -2.3052     2.8301     0.5429	C.3	1	noname	0.0022
16	C8     2.1009    -1.1857    -0.2706	C.3	1	noname	-0.0508
17	C9    -3.1148    -1.0557    -3.1392	C.2	1	noname	0.1428
18	H1    -4.1716    -1.1444    -1.3348	H	1	noname	0.0549
19	H2    -2.8878    -2.3633    -1.5208	H	1	noname	0.0549
20	H3     2.5297     1.3422     0.8348	H	1	noname	0.1016
21	H4    -1.7379     3.6339     0.0737	H	1	noname	0.0404
22	H5    -3.3643     2.9521     0.3155	H	1	noname	0.0404
23	H6    -2.1591     2.8644     1.6225	H	1	noname	0.0404
24	H7     2.8782    -0.8649    -0.9642	H	1	noname	0.0436
25	H8     1.5268    -1.9969    -0.7183	H	1	noname	0.0436
26	H9     2.5605    -1.5333     0.6546	H	1	noname	0.0436
27	H10    -4.2185    -1.3429    -4.8141	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	11	2
2	2	12	2
3	3	17	1
4	3	27	1
5	4	17	2
6	5	10	1
7	5	12	1
8	5	15	1
9	6	11	1
10	6	12	1
11	6	13	1
12	7	9	1
13	7	14	1
14	7	16	1
15	8	10	1
16	8	14	2
17	9	10	2
18	9	11	1
19	13	17	1
20	13	18	1
21	13	19	1
22	14	20	1
23	15	21	1
24	15	22	1
25	15	23	1
26	16	24	1
27	16	25	1
28	16	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1