@<TRIPOS>MOLECULE
71587364
26 26 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.8250    -1.4425     0.2798	O.3	1	noname	-0.3870
2	O2     1.1141    -1.2940    -4.6158	O.3	1	noname	-0.2759
3	O3    -0.6460     0.6320    -5.4528	O.3	1	noname	-0.2762
4	N1     0.5356    -2.4155     1.5172	N.3	1	noname	-0.3168
5	C1    -0.5532    -0.9270    -0.0854	C.3	1	noname	0.0916
6	C2    -0.5774    -0.5198    -1.4873	C.2	1	noname	-0.0457
7	C3     0.5114    -2.0078     0.1135	C.3	1	noname	0.0253
8	C4     0.2924    -1.1092    -2.3973	C.2	1	noname	-0.0120
9	C5    -1.4703     0.4572    -1.9119	C.2	1	noname	-0.0521
10	C6     0.2693    -0.7216    -3.7319	C.2	1	noname	0.0254
11	C7    -1.4934     0.8448    -3.2465	C.2	1	noname	-0.0209
12	C8    -0.6236     0.2555    -4.1566	C.2	1	noname	0.0226
13	C9     1.5529    -3.4482     1.7073	C.3	1	noname	-0.0163
14	H1    -0.3174    -0.0654     0.5392	H	1	noname	0.0665
15	H2     0.2755    -2.8694    -0.5111	H	1	noname	0.0458
16	H3     1.4876    -1.6121    -0.1669	H	1	noname	0.0458
17	H4     0.9476    -1.8262    -2.0857	H	1	noname	0.0654
18	H5    -2.1086     0.8897    -1.2441	H	1	noname	0.0627
19	H6     0.7568    -1.6076     2.1029	H	1	noname	0.1220
20	H7    -2.1486     1.5618    -3.5581	H	1	noname	0.0651
21	H8    -2.0370    -2.2171    -0.2817	H	1	noname	0.2109
22	H9     1.5710    -3.7522     2.7538	H	1	noname	0.0391
23	H10     1.3171    -4.3098     1.0827	H	1	noname	0.0391
24	H11     2.5291    -3.0525     1.4269	H	1	noname	0.0391
25	H12     1.6700    -1.9562    -4.1545	H	1	noname	0.2183
26	H13    -1.3279     1.3242    -5.5802	H	1	noname	0.2183
@<TRIPOS>BOND
1	5	1	1
2	1	21	1
3	2	10	1
4	2	25	1
5	3	12	1
6	3	26	1
7	4	7	1
8	4	13	1
9	4	19	1
10	5	6	1
11	5	7	1
12	5	14	1
13	6	8	2
14	6	9	1
15	7	15	1
16	7	16	1
17	8	10	1
18	8	17	1
19	9	11	2
20	9	18	1
21	10	12	2
22	11	12	1
23	11	20	1
24	13	22	1
25	13	23	1
26	13	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1