@<TRIPOS>MOLECULE
57417537
26 25 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.2212    -2.8525    -0.9011	O.3	1	noname	-0.2140
2	O2     0.7681    -0.9168    -1.9595	O.2	1	noname	-0.2496
3	N1     3.5734    -1.2797    -0.1764	N.3	1	noname	-0.3194
4	N2    -0.5453     3.2028    -0.7118	N.2	1	noname	-0.2644
5	N3    -2.0147     4.8787    -0.9222	N.3	1	noname	-0.1342
6	N4     0.1904     5.2247    -1.3302	N.3	1	noname	-0.1342
7	C1     2.1898     0.7112    -0.4790	C.3	1	noname	-0.0266
8	C2     0.7568     1.2420    -0.4050	C.3	1	noname	-0.0314
9	C3     2.2040    -0.7725    -0.1057	C.3	1	noname	0.0913
10	C4     0.7426     2.7257    -0.7783	C.3	1	noname	0.0419
11	C5     1.3608    -1.5166    -1.0367	C.2	1	noname	0.1437
12	C6    -0.7877     4.4242    -0.9856	C.2	1	noname	-0.1445
13	H1     2.5711     0.8345    -1.4927	H	1	noname	0.0288
14	H2     2.8194     1.2668     0.2161	H	1	noname	0.0288
15	H3     0.1272     0.6865    -1.1001	H	1	noname	0.0286
16	H4     0.3755     1.1187     0.6086	H	1	noname	0.0286
17	H5     1.8228    -0.8958     0.9079	H	1	noname	0.0571
18	H6     1.1238     2.8490    -1.7919	H	1	noname	0.0515
19	H7     1.3721     3.2813    -0.0832	H	1	noname	0.0515
20	H8     3.5829    -2.2708     0.0729	H	1	noname	0.1191
21	H9     3.9309    -1.1641    -1.1268	H	1	noname	0.1191
22	H10     0.3899    -3.2893    -1.1815	H	1	noname	0.2213
23	H11    -2.0237     5.8193    -1.1589	H	1	noname	0.1267
24	H12    -2.5749     4.3843    -1.5408	H	1	noname	0.1267
25	H13    -0.1632     6.1113    -1.5031	H	1	noname	0.1267
26	H14     0.6187     4.8855    -2.1316	H	1	noname	0.1267
@<TRIPOS>BOND
1	1	11	1
2	1	22	1
3	2	11	2
4	9	3	1
5	3	20	1
6	3	21	1
7	4	10	1
8	4	12	2
9	5	12	1
10	5	23	1
11	5	24	1
12	6	12	1
13	6	25	1
14	6	26	1
15	7	8	1
16	7	9	1
17	7	13	1
18	7	14	1
19	8	10	1
20	8	15	1
21	8	16	1
22	9	11	1
23	9	17	1
24	10	18	1
25	10	19	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1