@<TRIPOS>MOLECULE
76964243
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.6851    -1.0993     0.9310	O.3	1	noname	-0.1981
2	O2    -1.0229     1.5185     1.7407	O.2	1	noname	-0.2931
3	O3     3.3325     3.0393    -3.4865	O.3	1	noname	-0.2168
4	O4     1.9345     4.7786    -3.1811	O.2	1	noname	-0.2533
5	C1     0.6964     1.0353     0.1412	C.2	1	noname	0.0174
6	C2     1.0256     1.6583    -2.1947	C.2	1	noname	-0.0438
7	C3     1.3141     1.5560     2.5249	C.3	1	noname	0.0387
8	C4     2.3905     0.5466     2.6805	C.2	1	noname	-0.0158
9	C5     0.8814     2.6118    -3.2908	C.3	1	noname	0.0671
10	C6     1.4012    -0.2042    -0.0763	C.2	1	noname	0.0413
11	C7     0.5074     1.9843    -0.9114	C.2	1	noname	-0.0024
12	C8     0.1914     1.3806     1.4778	C.2	1	noname	0.1088
13	C9     2.5399    -0.6675     1.9044	C.2	1	noname	0.0014
14	C10     1.6845     0.4144    -2.4287	C.2	1	noname	-0.0243
15	C11     1.8693    -0.5341    -1.3838	C.2	1	noname	-0.0099
16	C12     3.3485     0.8685     3.6738	C.2	1	noname	-0.0477
17	C13     4.4475    -0.0248     3.8920	C.2	1	noname	-0.0629
18	C14    -0.3343     3.3966    -3.0964	C.3	1	noname	-0.0490
19	C15     3.6208    -1.5652     2.1593	C.2	1	noname	-0.0235
20	C16     4.5862    -1.2405     3.1520	C.2	1	noname	-0.0540
21	C17     2.0927     3.5461    -3.3169	C.2	1	noname	0.1386
22	C18     5.4516     0.3151     4.8960	C.3	1	noname	-0.0037
23	H1     0.8729     1.7696     3.4984	H	1	noname	0.0401
24	H2     1.8781     2.4494     2.2570	H	1	noname	0.0401
25	H3     0.8183     2.0723    -4.2358	H	1	noname	0.0456
26	H4     0.0180     2.8641    -0.7476	H	1	noname	0.0634
27	H5     2.0301     0.2005    -3.3642	H	1	noname	0.0626
28	H6     2.3255    -1.4283    -1.5650	H	1	noname	0.0650
29	H7     3.2573     1.7222     4.2245	H	1	noname	0.0629
30	H8    -0.4421     4.1085    -3.9148	H	1	noname	0.0242
31	H9    -1.1973     2.7310    -3.0779	H	1	noname	0.0242
32	H10    -0.2713     3.9361    -2.1514	H	1	noname	0.0242
33	H11     3.7001    -2.4349     1.6322	H	1	noname	0.0650
34	H12     5.3693    -1.8682     3.3341	H	1	noname	0.0626
35	H13     5.9203     1.2638     4.6344	H	1	noname	0.0279
36	H14     4.9744     0.4025     5.8721	H	1	noname	0.0279
37	H15     6.2097    -0.4673     4.9309	H	1	noname	0.0279
38	H16     4.1054     3.4918    -3.0888	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