@<TRIPOS>MOLECULE
71587489
27 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.9698    -1.2406     0.0459	O.3	1	noname	-0.2886
2	O2    -4.4592    -3.5837    -1.4309	O.3	1	noname	-0.3949
3	N1    -1.7955    -1.1579    -0.6520	N.3	1	noname	-0.3102
4	N2    -0.3579     3.7089     0.1158	N.3	1	noname	-0.1579
5	C1    -0.7984    -1.0944     0.4153	C.3	1	noname	0.0233
6	C2     0.0224     0.1008     0.2440	C.2	1	noname	-0.0234
7	C3    -2.6175    -2.3548    -0.4805	C.3	1	noname	0.0188
8	C4     1.3953    -0.0190     0.0632	C.2	1	noname	-0.0277
9	C5    -0.5692     1.3585     0.2618	C.2	1	noname	-0.0514
10	C6     0.2123     2.4964     0.0987	C.2	1	noname	-0.0453
11	C7    -3.6609    -2.4212    -1.5975	C.3	1	noname	0.0557
12	C8     2.1768     1.1189    -0.0999	C.2	1	noname	-0.0331
13	C9     1.5853     2.3766    -0.0821	C.2	1	noname	-0.0591
14	H1    -1.3021    -1.0539     1.3811	H	1	noname	0.0479
15	H2    -0.1642    -1.9799     0.3732	H	1	noname	0.0479
16	H3    -1.3233    -1.1959    -1.5576	H	1	noname	0.1226
17	H4    -3.1212    -2.3143     0.4853	H	1	noname	0.0451
18	H5    -1.9832    -3.2402    -0.5227	H	1	noname	0.0451
19	H6    -1.5767     1.4465     0.3945	H	1	noname	0.0643
20	H7    -4.2952    -1.5358    -1.5554	H	1	noname	0.0576
21	H8    -3.1572    -2.4617    -2.5633	H	1	noname	0.0576
22	H9     3.1843     1.0309    -0.2326	H	1	noname	0.0650
23	H10     2.1587     3.2116    -0.2018	H	1	noname	0.0640
24	H11    -1.3139     3.6148     0.2506	H	1	noname	0.1242
25	H12    -0.1930     4.1558    -0.7292	H	1	noname	0.1242
26	H13     2.9356    -1.1454    -0.0902	H	1	noname	0.2182
27	H14    -5.1276    -3.6263    -2.1464	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	8	1
2	1	26	1
3	2	11	1
4	2	27	1
5	3	5	1
6	3	7	1
7	3	16	1
8	4	10	1
9	4	24	1
10	4	25	1
11	5	6	1
12	5	14	1
13	5	15	1
14	6	8	2
15	6	9	1
16	7	11	1
17	7	17	1
18	7	18	1
19	8	12	1
20	9	10	2
21	9	19	1
22	10	13	1
23	11	20	1
24	11	21	1
25	12	13	2
26	12	22	1
27	13	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1