@<TRIPOS>MOLECULE
101647404
37 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.0934     3.6924    -0.2803	O.3	1	noname	-0.2870
2	C1    -1.9382    -0.6816     0.1440	C.3	1	noname	0.0135
3	C2     0.6438    -1.8015     0.5926	C.3	1	noname	0.0093
4	C3    -0.7593     0.1796     0.1458	C.2	1	noname	-0.0481
5	C4     0.5001    -0.3666     0.3646	C.2	1	noname	-0.0698
6	C5    -2.5055    -0.7725     1.5621	C.3	1	noname	-0.0495
7	C6     0.8495    -2.5126    -0.7465	C.3	1	noname	-0.0495
8	C7    -2.9968    -0.0950    -0.7920	C.3	1	noname	-0.0584
9	C8     1.8522    -2.0558     1.4959	C.3	1	noname	-0.0584
10	C9    -0.8961     1.5457    -0.0712	C.2	1	noname	-0.0359
11	C10     1.6225     0.4533     0.3663	C.2	1	noname	-0.0545
12	C11    -3.7410    -1.6750     1.5602	C.3	1	noname	-0.0648
13	C12     1.0001    -4.0163    -0.5076	C.3	1	noname	-0.0648
14	C13     0.2263     2.3656    -0.0695	C.2	1	noname	-0.0101
15	C14     1.4856     1.8194     0.1492	C.2	1	noname	-0.0408
16	H1    -1.6601    -1.6775    -0.2006	H	1	noname	0.0349
17	H2    -0.2562    -2.1850     1.0731	H	1	noname	0.0349
18	H3    -2.7836     0.2234     1.9068	H	1	noname	0.0270
19	H4    -1.7513    -1.1904     2.2290	H	1	noname	0.0270
20	H5    -0.0114    -2.3314    -1.3900	H	1	noname	0.0270
21	H6     1.7495    -2.1291    -1.2271	H	1	noname	0.0270
22	H7    -3.8770    -0.7379    -0.7934	H	1	noname	0.0236
23	H8    -3.2749     0.9010    -0.4474	H	1	noname	0.0236
24	H9    -2.5927    -0.0302    -1.8023	H	1	noname	0.0236
25	H10     1.9595    -3.1271     1.6661	H	1	noname	0.0236
26	H11     1.7057    -1.5493     2.4499	H	1	noname	0.0236
27	H12     2.7522    -1.6723     1.0153	H	1	noname	0.0236
28	H13    -1.8202     1.9466    -0.2318	H	1	noname	0.0653
29	H14     2.5466     0.0524     0.5268	H	1	noname	0.0626
30	H15    -4.1451    -1.7398     2.5705	H	1	noname	0.0230
31	H16    -4.4951    -1.2571     0.8933	H	1	noname	0.0230
32	H17    -3.4629    -2.6710     1.2155	H	1	noname	0.0230
33	H18     1.1466    -4.5229    -1.4615	H	1	noname	0.0230
34	H19     0.1001    -4.3998    -0.0270	H	1	noname	0.0230
35	H20     1.8610    -4.1975     0.1360	H	1	noname	0.0230
36	H21     2.3093     2.4210     0.1505	H	1	noname	0.0650
37	H22    -0.8528     3.9084    -0.4160	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	14	1
2	1	37	1
3	2	4	1
4	2	6	1
5	2	8	1
6	2	16	1
7	3	5	1
8	3	7	1
9	3	9	1
10	3	17	1
11	4	5	2
12	4	10	1
13	5	11	1
14	6	12	1
15	6	18	1
16	6	19	1
17	7	13	1
18	7	20	1
19	7	21	1
20	8	22	1
21	8	23	1
22	8	24	1
23	9	25	1
24	9	26	1
25	9	27	1
26	10	14	2
27	10	28	1
28	11	15	2
29	11	29	1
30	12	30	1
31	12	31	1
32	12	32	1
33	13	33	1
34	13	34	1
35	13	35	1
36	14	15	1
37	15	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1