@<TRIPOS>MOLECULE
71413770
40 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.2835     3.6796    -0.1186	O.3	1	noname	-0.2869
2	C1     0.8082    -1.8802     0.2139	C.3	1	noname	0.0178
3	C2     0.8030    -2.3046     1.6838	C.3	1	noname	-0.0348
4	C3    -0.4985    -2.3209    -0.4489	C.3	1	noname	-0.0464
5	C4     2.1097    -1.8640     2.3465	C.3	1	noname	-0.0501
6	C5     0.9324    -0.4281     0.1270	C.2	1	noname	-0.0660
7	C6     1.9901    -2.5369    -0.5023	C.3	1	noname	-0.0553
8	C7    -0.3789    -1.6480     2.4000	C.3	1	noname	-0.0617
9	C8     2.1044    -2.2884     3.8165	C.3	1	noname	-0.0559
10	C9    -0.4933    -1.8965    -1.9188	C.3	1	noname	-0.0645
11	C10     2.1904     0.1591     0.0599	C.2	1	noname	-0.0514
12	C11    -0.2075     0.3672     0.1114	C.2	1	noname	-0.0514
13	C12     3.4111    -1.8477     4.4792	C.3	1	noname	-0.0654
14	C13     2.3086     1.5416    -0.0228	C.2	1	noname	-0.0329
15	C14    -0.0893     1.7497     0.0288	C.2	1	noname	-0.0329
16	C15     1.1688     2.3369    -0.0383	C.2	1	noname	-0.0076
17	H1     0.7103    -3.3888     1.7486	H	1	noname	0.0309
18	H2    -0.5912    -3.4050    -0.3840	H	1	noname	0.0273
19	H3    -1.3405    -1.8531     0.0614	H	1	noname	0.0273
20	H4     2.9516    -2.3318     1.8363	H	1	noname	0.0269
21	H5     2.2024    -0.7798     2.2817	H	1	noname	0.0269
22	H6     1.9938    -2.2345    -1.5496	H	1	noname	0.0239
23	H7     1.8974    -3.6210    -0.4375	H	1	noname	0.0239
24	H8     2.9210    -2.2229    -0.0302	H	1	noname	0.0239
25	H9    -0.3826    -1.9504     3.4472	H	1	noname	0.0233
26	H10    -1.3098    -1.9619     1.9279	H	1	noname	0.0233
27	H11    -0.2862    -0.5639     2.3352	H	1	noname	0.0233
28	H12     2.0117    -3.3725     3.8813	H	1	noname	0.0264
29	H13     1.2625    -1.8206     4.3267	H	1	noname	0.0264
30	H14    -1.4242    -2.2105    -2.3910	H	1	noname	0.0231
31	H15     0.3487    -2.3643    -2.4291	H	1	noname	0.0231
32	H16    -0.4006    -0.8124    -1.9837	H	1	noname	0.0231
33	H17     3.0269    -0.4245     0.0713	H	1	noname	0.0626
34	H18    -1.1307    -0.0637     0.1607	H	1	noname	0.0626
35	H19     3.4074    -2.1500     5.5264	H	1	noname	0.0230
36	H20     4.2531    -2.3155     3.9690	H	1	noname	0.0230
37	H21     3.5038    -0.7636     4.4144	H	1	noname	0.0230
38	H22     3.2319     1.9725    -0.0720	H	1	noname	0.0650
39	H23    -0.9258     2.3333     0.0173	H	1	noname	0.0650
40	H24     2.2316     3.9246    -0.1578	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	8	1
9	3	17	1
10	4	10	1
11	4	18	1
12	4	19	1
13	5	9	1
14	5	20	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	25	1
22	8	26	1
23	8	27	1
24	9	13	1
25	9	28	1
26	9	29	1
27	10	30	1
28	10	31	1
29	10	32	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