@<TRIPOS>MOLECULE
76964242
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.4596    -0.4238     0.1777	O.3	1	noname	-0.1981
2	O2    -2.5186    -2.6891     1.0944	O.2	1	noname	-0.2931
3	O3    -5.7678     1.0485     0.6638	O.3	1	noname	-0.2168
4	O4    -5.9489     1.5227     2.8580	O.2	1	noname	-0.2533
5	C1    -1.8003    -0.4043     1.2025	C.2	1	noname	0.0174
6	C2    -2.9982     1.7189     1.3007	C.2	1	noname	-0.0438
7	C3    -0.5958    -2.1606     2.5439	C.3	1	noname	0.0387
8	C4     0.7874    -1.6705     2.3238	C.2	1	noname	-0.0158
9	C5    -4.1440     2.5160     1.7291	C.3	1	noname	0.0671
10	C6    -0.7069     0.2296     0.5075	C.2	1	noname	0.0413
11	C7    -2.9541     0.3329     1.6146	C.2	1	noname	-0.0024
12	C8    -1.7340    -1.8305     1.5524	C.2	1	noname	0.1088
13	C9     1.2347    -0.8463     1.2196	C.2	1	noname	0.0014
14	C10    -1.9410     2.3436     0.5739	C.2	1	noname	-0.0243
15	C11    -0.7939     1.6109     0.1582	C.2	1	noname	-0.0099
16	C12     1.7049    -2.0494     3.3351	C.2	1	noname	-0.0477
17	C13     3.0651    -1.6093     3.2371	C.2	1	noname	-0.0629
18	C14    -3.8707     3.0966     3.1180	C.3	1	noname	-0.0490
19	C15     2.6018    -0.4465     1.1176	C.2	1	noname	-0.0235
20	C16     3.5224    -0.8213     2.1349	C.2	1	noname	-0.0540
21	C17    -5.3332     1.6706     1.7803	C.2	1	noname	0.1386
22	C18     4.0084    -1.9748     4.2898	C.3	1	noname	-0.0037
23	H1    -0.5755    -3.2345     2.7294	H	1	noname	0.0401
24	H2    -0.8489    -1.7033     3.5004	H	1	noname	0.0401
25	H3    -4.3063     3.3288     1.0211	H	1	noname	0.0456
26	H4    -3.7184    -0.1196     2.1160	H	1	noname	0.0634
27	H5    -2.0088     3.3359     0.3477	H	1	noname	0.0626
28	H6    -0.0517     2.0620    -0.3766	H	1	noname	0.0650
29	H7     1.4021    -2.6260     4.1201	H	1	noname	0.0629
30	H8    -4.7261     3.6917     3.4378	H	1	noname	0.0242
31	H9    -3.7085     2.2838     3.8260	H	1	noname	0.0242
32	H10    -2.9829     3.7278     3.0798	H	1	noname	0.0242
33	H11     2.9164     0.1049     0.3193	H	1	noname	0.0650
34	H12     4.4986    -0.5310     2.0789	H	1	noname	0.0626
35	H13     4.0780    -3.0606     4.3543	H	1	noname	0.0279
36	H14     3.6616    -1.5757     5.2430	H	1	noname	0.0279
37	H15     4.9897    -1.5609     4.0581	H	1	noname	0.0279
38	H16    -6.2376     0.1912     0.7318	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	10	1
2	1	13	1
3	2	12	2
4	3	21	1
5	3	38	1
6	4	21	2
7	5	10	2
8	5	11	1
9	5	12	1
10	6	9	1
11	6	11	2
12	6	14	1
13	7	8	1
14	7	12	1
15	7	23	1
16	7	24	1
17	8	13	2
18	8	16	1
19	9	18	1
20	9	21	1
21	9	25	1
22	10	15	1
23	11	26	1
24	13	19	1
25	14	15	2
26	14	27	1
27	15	28	1
28	16	17	2
29	16	29	1
30	17	20	1
31	17	22	1
32	18	30	1
33	18	31	1
34	18	32	1
35	19	20	2
36	19	33	1
37	20	34	1
38	22	35	1
39	22	36	1
40	22	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1