@<TRIPOS>MOLECULE
76968050
34 34 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.4031    -1.8794     0.5000	O.3	1	noname	-0.3870
2	O2    -5.6498     1.1037     1.9595	O.3	1	noname	-0.2861
3	N1     0.1653    -1.6461    -2.2700	N.3	1	noname	-0.3137
4	C1    -1.0881    -1.1601    -1.6953	C.3	1	noname	0.0256
5	C2    -0.0550    -2.0336    -3.6624	C.3	1	noname	-0.0047
6	C3    -0.8575    -0.7546    -0.2381	C.3	1	noname	0.0915
7	C4     1.2566    -2.5422    -4.2639	C.3	1	noname	-0.0409
8	C5     1.0261    -2.9477    -5.7210	C.3	1	noname	-0.0549
9	C6    -2.1092    -0.2693     0.3359	C.2	1	noname	-0.0541
10	C7     2.3377    -3.4563    -6.3225	C.3	1	noname	-0.0653
11	C8    -2.1477     0.1587     1.6578	C.2	1	noname	-0.0396
12	C9    -3.2622    -0.2351    -0.4396	C.2	1	noname	-0.0396
13	C10    -3.3394     0.6207     2.2042	C.2	1	noname	-0.0289
14	C11    -4.4539     0.2269     0.1068	C.2	1	noname	-0.0289
15	C12    -4.4924     0.6549     1.4287	C.2	1	noname	-0.0012
16	H1    -1.8379    -1.9500    -1.7383	H	1	noname	0.0458
17	H2    -1.4369    -0.2967    -2.2618	H	1	noname	0.0458
18	H3    -0.8049    -2.8235    -3.7054	H	1	noname	0.0427
19	H4    -0.4038    -1.1702    -4.2290	H	1	noname	0.0427
20	H5    -0.1077     0.0353    -0.1950	H	1	noname	0.0665
21	H6     1.6055    -3.4056    -3.6973	H	1	noname	0.0279
22	H7     2.0065    -1.7523    -4.2208	H	1	noname	0.0279
23	H8     0.8684    -0.9055    -2.2296	H	1	noname	0.1223
24	H9     0.2762    -3.7376    -5.7641	H	1	noname	0.0264
25	H10     0.6773    -2.0843    -6.2876	H	1	noname	0.0264
26	H11     2.1735    -3.7452    -7.3606	H	1	noname	0.0230
27	H12     2.6866    -4.3197    -5.7560	H	1	noname	0.0230
28	H13     3.0876    -2.6664    -6.2795	H	1	noname	0.0230
29	H14    -1.3016     0.1336     2.2269	H	1	noname	0.0627
30	H15    -3.2339    -0.5492    -1.4097	H	1	noname	0.0627
31	H16    -1.0773    -2.5896     0.4613	H	1	noname	0.2109
32	H17    -3.3677     0.9348     3.1743	H	1	noname	0.0650
33	H18    -5.3000     0.2520    -0.4622	H	1	noname	0.0650
34	H19    -5.5021     1.3634     2.8928	H	1	noname	0.2181
@<TRIPOS>BOND
1	6	1	1
2	1	31	1
3	2	15	1
4	2	34	1
5	3	4	1
6	3	5	1
7	3	23	1
8	4	6	1
9	4	16	1
10	4	17	1
11	5	7	1
12	5	18	1
13	5	19	1
14	6	9	1
15	6	20	1
16	7	8	1
17	7	21	1
18	7	22	1
19	8	10	1
20	8	24	1
21	8	25	1
22	9	11	2
23	9	12	1
24	10	26	1
25	10	27	1
26	10	28	1
27	11	13	1
28	11	29	1
29	12	14	2
30	12	30	1
31	13	15	2
32	13	32	1
33	14	15	1
34	14	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1