@<TRIPOS>MOLECULE
71334151
37 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.5671    -2.7674     1.4849	O.2	1	noname	-0.2973
2	O2    -1.0111    -9.9614    -1.2221	O.3	1	noname	-0.2674
3	O3     1.8102    -9.8495    -1.1958	O.3	1	noname	-0.2760
4	C1    -2.5865    -2.4459    -0.8823	C.3	1	noname	0.0205
5	C2    -2.2150    -3.2416     0.3823	C.2	1	noname	0.1366
6	C3    -1.5005    -4.5418     0.5945	C.3	1	noname	0.0106
7	C4    -4.1505    -2.3504    -0.9185	C.3	1	noname	-0.0532
8	C5    -1.9211    -1.0336    -0.7603	C.3	1	noname	-0.0532
9	C6    -2.1672    -2.9207    -2.3448	C.3	1	noname	-0.0532
10	C7    -1.2357    -5.1611    -0.7723	C.3	1	noname	-0.0209
11	C8    -0.4051    -6.3466    -0.9009	C.2	1	noname	-0.0577
12	C9    -1.0379    -7.5820    -1.0933	C.2	1	noname	-0.0185
13	C10     0.9999    -6.2942    -0.9474	C.2	1	noname	-0.0596
14	C11    -0.3160    -8.7874    -1.1528	C.2	1	noname	0.0244
15	C12     1.7508    -7.4837    -1.0516	C.2	1	noname	-0.0229
16	C13     1.1016    -8.7238    -1.1478	C.2	1	noname	0.0236
17	C14    -1.4555   -10.3997     0.0695	C.3	1	noname	0.0424
18	H1    -2.0908    -5.2370     1.2015	H	1	noname	0.0350
19	H2    -0.5827    -4.4099     1.1762	H	1	noname	0.0350
20	H3    -4.5046    -1.8457    -1.8172	H	1	noname	0.0240
21	H4    -2.3692    -2.1623    -3.1021	H	1	noname	0.0240
22	H5    -2.6957    -3.8326    -2.6745	H	1	noname	0.0240
23	H6    -1.0994    -3.1151    -2.4211	H	1	noname	0.0240
24	H7    -2.1090    -0.4133    -1.6341	H	1	noname	0.0240
25	H8    -2.2805    -0.4776     0.0993	H	1	noname	0.0240
26	H9    -0.8415    -1.1412    -0.6644	H	1	noname	0.0240
27	H10    -4.5862    -3.3505    -0.9133	H	1	noname	0.0240
28	H11    -4.5551    -1.8117    -0.0680	H	1	noname	0.0240
29	H12    -2.2179    -5.3634    -1.1878	H	1	noname	0.0320
30	H13    -0.7011    -4.3772    -1.3087	H	1	noname	0.0320
31	H14    -2.0578    -7.6389    -1.1553	H	1	noname	0.0654
32	H15     1.4839    -5.3955    -0.9188	H	1	noname	0.0626
33	H16     2.7659    -7.4157    -1.0641	H	1	noname	0.0651
34	H17     2.7663    -9.6344    -1.1849	H	1	noname	0.2183
35	H18    -2.0034   -11.3364    -0.0334	H	1	noname	0.0535
36	H19    -2.1080    -9.6431     0.5053	H	1	noname	0.0535
37	H20    -0.5929   -10.5527     0.7179	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	5	2
2	2	14	1
3	2	17	1
4	3	16	1
5	3	34	1
6	4	5	1
7	4	7	1
8	4	8	1
9	4	9	1
10	5	6	1
11	6	10	1
12	6	18	1
13	6	19	1
14	7	20	1
15	7	27	1
16	7	28	1
17	8	24	1
18	8	25	1
19	8	26	1
20	9	21	1
21	9	22	1
22	9	23	1
23	10	11	1
24	10	29	1
25	10	30	1
26	11	12	2
27	11	13	1
28	12	14	1
29	12	31	1
30	13	15	2
31	13	32	1
32	14	16	2
33	15	16	1
34	15	33	1
35	17	35	1
36	17	36	1
37	17	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1