@<TRIPOS>MOLECULE
76965409
28 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.6286     1.2836     0.4427	O.3	1	noname	-0.1924
2	O2     0.2530     0.3261    -1.3954	O.2	1	noname	-0.2468
3	O3    -0.5531     4.0022     1.6134	O.3	1	noname	-0.2104
4	O4    -2.6558     3.9441     0.8085	O.2	1	noname	-0.2450
5	N1    -1.7799    -1.3946     0.6263	N.3	1	noname	-0.3192
6	C1     0.1485    -2.1833    -0.6500	C.3	1	noname	-0.0222
7	C2    -0.3709    -1.1345     0.3356	C.3	1	noname	0.0938
8	C3     0.0034    -3.5768    -0.0353	C.3	1	noname	-0.0608
9	C4     1.6230    -1.9111    -0.9542	C.3	1	noname	-0.0608
10	C5    -0.2324     0.1953    -0.2510	C.2	1	noname	0.1527
11	C6    -1.1021     2.4312    -0.2466	C.3	1	noname	0.1497
12	C7    -2.2739     2.0732    -1.0405	C.3	1	noname	-0.0283
13	C8    -1.4832     3.5131     0.7660	C.2	1	noname	0.1502
14	H1    -0.4286    -2.1315    -1.5732	H	1	noname	0.0318
15	H2     0.2061    -1.1863     1.2588	H	1	noname	0.0574
16	H3     1.9931    -2.6582    -1.6563	H	1	noname	0.0234
17	H4     1.7264    -0.9183    -1.3921	H	1	noname	0.0234
18	H5     2.2001    -1.9628    -0.0309	H	1	noname	0.0234
19	H6     0.3734    -4.3240    -0.7374	H	1	noname	0.0234
20	H7    -1.0471    -3.7707     0.1815	H	1	noname	0.0234
21	H8     0.5804    -3.6286     0.8880	H	1	noname	0.0234
22	H9    -2.1269    -0.6941     1.2846	H	1	noname	0.1191
23	H10    -2.3210    -1.3461    -0.2394	H	1	noname	0.1191
24	H11    -0.3192     2.8088    -0.9043	H	1	noname	0.0717
25	H12    -2.6373     2.9541    -1.5695	H	1	noname	0.0262
26	H13    -3.0568     1.6956    -0.3827	H	1	noname	0.0262
27	H14    -2.0023     1.3024    -1.7618	H	1	noname	0.0262
28	H15    -0.8193     4.3261     2.4992	H	1	noname	0.2214
@<TRIPOS>BOND
1	1	10	1
2	11	1	1
3	2	10	2
4	3	13	1
5	3	28	1
6	4	13	2
7	7	5	1
8	5	22	1
9	5	23	1
10	6	7	1
11	6	8	1
12	6	9	1
13	6	14	1
14	7	10	1
15	7	15	1
16	8	19	1
17	8	20	1
18	8	21	1
19	9	16	1
20	9	17	1
21	9	18	1
22	11	12	1
23	11	13	1
24	11	24	1
25	12	25	1
26	12	26	1
27	12	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1