@<TRIPOS>MOLECULE
87238723
38 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.0912    -0.3063    -1.7687	O.3	1	noname	-0.2052
2	O2     3.3212     4.4697    -0.6420	O.3	1	noname	-0.2052
3	O3     5.0721     6.6355    -1.0542	O.3	1	noname	-0.3818
4	O4     0.7262    -2.6725    -3.2500	O.3	1	noname	-0.3818
5	O5     2.8939     1.0069    -1.4547	O.2	1	noname	-0.2597
6	O6     3.4896     2.2829    -1.1537	O.2	1	noname	-0.2597
7	C1     1.7650    -1.5054    -1.4157	C.3	1	noname	0.0881
8	C2     4.5824     4.5288     0.0078	C.3	1	noname	0.0881
9	C3     4.9848     5.9913     0.2083	C.3	1	noname	0.0729
10	C4     0.9227    -2.7087    -1.8441	C.3	1	noname	0.0729
11	C5     4.4883     3.8347     1.3681	C.3	1	noname	-0.0357
12	C6     1.9767    -1.5444     0.0991	C.3	1	noname	-0.0357
13	C7     2.7627     3.2735    -0.9242	C.2	1	noname	0.1029
14	C8     1.6498     0.8899    -1.4865	C.2	1	noname	0.1029
15	C9     1.4091     3.1462    -0.9588	C.2	1	noname	0.0963
16	C10     0.8588     1.9677    -1.2368	C.2	1	noname	0.0963
17	C11     5.4456     7.9928    -0.8682	C.3	1	noname	0.0357
18	C12    -0.0555    -3.7892    -3.6476	C.3	1	noname	0.0357
19	H1     2.7313    -1.5408    -1.9186	H	1	noname	0.0631
20	H2     5.3309     4.0268    -0.6052	H	1	noname	0.0631
21	H3     4.2363     6.4933     0.8213	H	1	noname	0.0593
22	H4    -0.0437    -2.6733    -1.3411	H	1	noname	0.0593
23	H5     1.4398    -3.6291    -1.5731	H	1	noname	0.0593
24	H6     5.9529     6.0367     0.7071	H	1	noname	0.0593
25	H7     5.4564     3.8801     1.8669	H	1	noname	0.0258
26	H8     3.7398     4.3368     1.9811	H	1	noname	0.0258
27	H9     4.2016     2.7929     1.2253	H	1	noname	0.0258
28	H10     2.4938    -2.4649     0.3701	H	1	noname	0.0258
29	H11     1.0103    -1.5091     0.6021	H	1	noname	0.0258
30	H12     2.5767    -0.6872     0.4043	H	1	noname	0.0258
31	H13     0.8333     3.9308    -0.7770	H	1	noname	0.0688
32	H14    -0.1265     1.8751    -1.2620	H	1	noname	0.0688
33	H15     5.5127     8.4873    -1.8373	H	1	noname	0.0529
34	H16     4.6971     8.4948    -0.2551	H	1	noname	0.0529
35	H17     6.4137     8.0382    -0.3694	H	1	noname	0.0529
36	H18    -0.2064    -3.7614    -4.7267	H	1	noname	0.0529
37	H19    -1.0219    -3.7539    -3.1446	H	1	noname	0.0529
38	H20     0.4616    -4.7097    -3.3766	H	1	noname	0.0529
@<TRIPOS>BOND
1	1	7	1
2	1	14	1
3	2	8	1
4	2	13	1
5	3	9	1
6	3	17	1
7	4	10	1
8	4	18	1
9	5	14	2
10	6	13	2
11	7	10	1
12	7	12	1
13	7	19	1
14	8	9	1
15	8	11	1
16	8	20	1
17	9	21	1
18	9	24	1
19	10	22	1
20	10	23	1
21	11	25	1
22	11	26	1
23	11	27	1
24	12	28	1
25	12	29	1
26	12	30	1
27	13	15	1
28	14	16	1
29	15	16	2
30	15	31	1
31	16	32	1
32	17	33	1
33	17	34	1
34	17	35	1
35	18	36	1
36	18	37	1
37	18	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1