@<TRIPOS>MOLECULE
72941651
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.7496    -0.2793     0.5474	O.3	1	noname	-0.3567
2	O2    -1.3596    -0.3350    -1.9767	O.2	1	noname	-0.2852
3	C1    -0.5603     0.2273     0.2169	C.3	1	noname	0.1676
4	C2     0.7247     0.7851    -0.3927	C.3	1	noname	0.0885
5	C3    -2.2249    -2.7170     0.3400	C.3	1	noname	-0.0137
6	C4    -2.6072    -1.3100    -0.2515	C.3	1	noname	0.0161
7	C5    -1.5078    -0.4499    -0.7402	C.2	1	noname	0.1606
8	C6    -0.6906    -3.0573     0.5088	C.3	1	noname	-0.0403
9	C7    -1.1806     0.9947     1.2744	C.2	1	noname	-0.0586
10	C8    -3.0588    -2.9992     1.5317	C.2	1	noname	-0.0738
11	C9    -0.4186    -4.3683     1.2847	C.3	1	noname	-0.0622
12	C10     0.2550    -3.0094    -0.7395	C.3	1	noname	-0.0622
13	C11    -1.5084     0.5880     2.5023	C.2	1	noname	-0.0688
14	C12    -1.2573    -0.7120     3.1206	C.3	1	noname	-0.0102
15	C13    -3.0830    -2.5024     2.8034	C.2	1	noname	-0.0671
16	C14    -2.3697    -1.5574     3.5489	C.2	1	noname	-0.0689
17	C15    -2.6574    -1.4038     4.8694	C.2	1	noname	-0.0808
18	H1     1.0702     0.4449    -1.3788	H	1	noname	0.0605
19	H2     1.1396     1.7180     0.0093	H	1	noname	0.0605
20	H3    -2.5550    -3.4410    -0.4233	H	1	noname	0.0353
21	H4    -3.3152    -1.4540    -1.0747	H	1	noname	0.0353
22	H5    -3.1521    -0.7003     0.4666	H	1	noname	0.0353
23	H6    -0.2997    -2.3087     1.1419	H	1	noname	0.0303
24	H7    -1.4119     1.9318     1.0305	H	1	noname	0.0608
25	H8    -3.7536    -3.7041     1.3616	H	1	noname	0.0579
26	H9     0.6346    -4.4145     1.5554	H	1	noname	0.0233
27	H10    -0.9738    -4.4218     2.2204	H	1	noname	0.0233
28	H11    -0.6780    -5.2271     0.6730	H	1	noname	0.0233
29	H12     1.2759    -3.2039    -0.4162	H	1	noname	0.0233
30	H13    -0.0234    -3.7267    -1.4910	H	1	noname	0.0233
31	H14     0.3449    -2.0742    -1.2489	H	1	noname	0.0233
32	H15    -1.9699     1.2453     3.0911	H	1	noname	0.0577
33	H16    -0.3392    -1.2213     2.8608	H	1	noname	0.0359
34	H17    -1.0750    -0.3001     4.1132	H	1	noname	0.0359
35	H18    -3.7932    -2.9691     3.3311	H	1	noname	0.0622
36	H19    -2.1614    -0.7831     5.4781	H	1	noname	0.0540
37	H20    -3.3851    -1.9269     5.3022	H	1	noname	0.0540
@<TRIPOS>BOND
1	3	1	1
2	1	4	1
3	2	7	2
4	3	4	1
5	3	7	1
6	3	9	1
7	4	18	1
8	4	19	1
9	5	6	1
10	5	8	1
11	5	10	1
12	5	20	1
13	6	7	1
14	6	21	1
15	6	22	1
16	8	11	1
17	8	12	1
18	8	23	1
19	9	13	2
20	9	24	1
21	10	15	2
22	10	25	1
23	11	26	1
24	11	27	1
25	11	28	1
26	12	29	1
27	12	30	1
28	12	31	1
29	13	14	1
30	13	32	1
31	14	16	1
32	14	33	1
33	14	34	1
34	15	16	1
35	15	35	1
36	16	17	2
37	17	36	1
38	17	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1