@<TRIPOS>MOLECULE
71344407
40 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.2102     3.6509    -0.2549	O.3	1	noname	-0.2870
2	C1    -0.8359    -1.2001     0.3244	C.3	1	noname	0.0165
3	C2    -1.1319    -1.4084     1.8775	C.3	1	noname	-0.0414
4	C3    -2.2071    -1.1395    -0.5030	C.3	1	noname	-0.0440
5	C4     0.0722    -1.5166     2.8963	C.3	1	noname	-0.0463
6	C5    -0.0422     0.1055     0.2000	C.2	1	noname	-0.0662
7	C6    -0.0917    -2.4716    -0.3240	C.3	1	noname	-0.0555
8	C7    -2.0439    -0.8501    -2.0458	C.3	1	noname	-0.0553
9	C8    -0.3814    -1.5017     4.3789	C.3	1	noname	-0.0627
10	C9     1.0571    -2.7205     2.6660	C.3	1	noname	-0.0627
11	C10     1.3759     0.1299     0.2851	C.2	1	noname	-0.0516
12	C11    -0.6723     1.3805     0.0370	C.2	1	noname	-0.0516
13	C12    -3.3232    -0.6405    -2.8638	C.3	1	noname	-0.0653
14	C13     2.1284     1.3071     0.1473	C.2	1	noname	-0.0330
15	C14     0.0740     2.5557    -0.1481	C.2	1	noname	-0.0330
16	C15     1.4800     2.5233    -0.0902	C.2	1	noname	-0.0078
17	H1    -1.7825    -2.2738     2.0217	H	1	noname	0.0278
18	H2    -1.7487    -0.5621     2.2005	H	1	noname	0.0278
19	H3    -2.7536    -2.0816    -0.3743	H	1	noname	0.0275
20	H4    -2.8724    -0.3926    -0.0662	H	1	noname	0.0275
21	H5     0.6736    -0.6129     2.8300	H	1	noname	0.0297
22	H6    -0.0489    -2.4399    -1.4060	H	1	noname	0.0239
23	H7    -0.6263    -3.3925    -0.0943	H	1	noname	0.0239
24	H8     0.9574    -2.6400    -0.0889	H	1	noname	0.0239
25	H9    -1.5771    -1.6804    -2.5641	H	1	noname	0.0264
26	H10    -1.4032     0.0149    -2.2066	H	1	noname	0.0264
27	H11     1.7257    -2.9126     3.5164	H	1	noname	0.0233
28	H12     0.5024    -3.6438     2.5074	H	1	noname	0.0233
29	H13     1.7331    -2.5488     1.8256	H	1	noname	0.0233
30	H14     0.4917    -1.5788     5.0268	H	1	noname	0.0233
31	H15    -1.0467    -2.3450     4.5638	H	1	noname	0.0233
32	H16    -0.9081    -0.5706     4.5884	H	1	noname	0.0233
33	H17     1.9120    -0.7096     0.4651	H	1	noname	0.0626
34	H18    -1.6876     1.4733     0.0418	H	1	noname	0.0626
35	H19    -3.0617    -0.4513    -3.9050	H	1	noname	0.0230
36	H20    -3.9446    -1.5338    -2.8018	H	1	noname	0.0230
37	H21    -3.8728     0.2128    -2.4665	H	1	noname	0.0230
38	H22     3.1455     1.2543     0.2090	H	1	noname	0.0650
39	H23    -0.3961     3.4441    -0.3249	H	1	noname	0.0650
40	H24     1.6094     4.4092    -0.4112	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	16	1
2	1	40	1
3	2	3	1
4	2	4	1
5	2	6	1
6	2	7	1
7	3	5	1
8	3	17	1
9	3	18	1
10	4	8	1
11	4	19	1
12	4	20	1
13	5	9	1
14	5	10	1
15	5	21	1
16	6	11	2
17	6	12	1
18	7	22	1
19	7	23	1
20	7	24	1
21	8	13	1
22	8	25	1
23	8	26	1
24	9	30	1
25	9	31	1
26	9	32	1
27	10	27	1
28	10	28	1
29	10	29	1
30	11	14	1
31	11	33	1
32	12	15	2
33	12	34	1
34	13	35	1
35	13	36	1
36	13	37	1
37	14	16	2
38	14	38	1
39	15	16	1
40	15	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1