@<TRIPOS>MOLECULE
71587343
27 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.6893    -0.0008     0.7059	O.2	1	noname	-0.2930
2	O2    -3.2674     2.2845     1.4004	O.2	1	noname	-0.2973
3	O3    -3.1763    -3.7233    -0.1001	O.2	1	noname	-0.2983
4	N1    -1.3689     1.8970     0.2697	N.3	1	noname	-0.0744
5	N2    -1.5178    -3.6539    -1.6093	N.3	1	noname	-0.0908
6	C1    -0.6966     1.2050    -0.7585	C.3	1	noname	0.0699
7	C2    -0.5567    -1.3198    -0.7863	C.3	1	noname	0.0159
8	C3    -0.1415    -0.0365    -0.2273	C.2	1	noname	0.1453
9	C4    -1.7766    -1.8381    -0.0220	C.3	1	noname	0.0279
10	C5     0.4355     2.0773    -1.3047	C.3	1	noname	-0.0422
11	C6    -2.6714     1.6710     0.4889	C.2	1	noname	0.0384
12	C7    -2.1919    -3.1214    -0.5809	C.2	1	noname	0.0327
13	C8    -3.3944     0.7083    -0.3370	C.3	1	noname	0.0095
14	H1    -1.3978     0.9755    -1.5608	H	1	noname	0.0548
15	H2    -0.8141    -1.1919    -1.8377	H	1	noname	0.0352
16	H3     0.2596    -2.0364    -0.6966	H	1	noname	0.0352
17	H4    -2.5930    -1.1215    -0.1117	H	1	noname	0.0365
18	H5    -1.5193    -1.9660     1.0294	H	1	noname	0.0365
19	H6     0.9553     1.5423    -2.0995	H	1	noname	0.0251
20	H7     0.0211     3.0041    -1.7012	H	1	noname	0.0251
21	H8     1.1368     2.3068    -0.5024	H	1	noname	0.0251
22	H9    -0.8886     2.5366     0.8184	H	1	noname	0.1317
23	H10    -4.2130     1.2125    -0.8505	H	1	noname	0.0324
24	H11    -3.7953    -0.0840     0.2952	H	1	noname	0.0324
25	H12    -2.7147     0.2776    -1.0722	H	1	noname	0.0324
26	H13    -0.7539    -3.1868    -1.9824	H	1	noname	0.1271
27	H14    -1.7937    -4.5065    -1.9806	H	1	noname	0.1271
@<TRIPOS>BOND
1	1	8	2
2	2	11	2
3	3	12	2
4	4	6	1
5	4	11	1
6	4	22	1
7	5	12	1
8	5	26	1
9	5	27	1
10	6	8	1
11	6	10	1
12	6	14	1
13	7	8	1
14	7	9	1
15	7	15	1
16	7	16	1
17	9	12	1
18	9	17	1
19	9	18	1
20	10	19	1
21	10	20	1
22	10	21	1
23	11	13	1
24	13	23	1
25	13	24	1
26	13	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1