@<TRIPOS>MOLECULE
72941804
38 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     6.1256     1.8387    -2.5454	O.2	1	noname	-0.3011
2	O2     5.3789    -5.8533     1.3350	O.3	1	noname	-0.2769
3	C1     3.0224     1.4564    -0.5980	C.3	1	noname	-0.0052
4	C2     3.2866     2.5539     0.4884	C.3	1	noname	-0.0245
5	C3     3.6806     1.7981    -1.9919	C.3	1	noname	0.0173
6	C4     3.2768     0.0583    -0.0596	C.2	1	noname	-0.0482
7	C5     4.4042     3.4735     0.2179	C.2	1	noname	-0.0399
8	C6     5.1576     2.2738    -1.8850	C.2	1	noname	0.0931
9	C7     5.2045     3.3333    -0.8599	C.2	1	noname	0.0200
10	C8     4.5050    -0.6127    -0.3699	C.2	1	noname	-0.0441
11	C9     2.2990    -0.6190     0.7651	C.2	1	noname	-0.0506
12	C10     4.7271    -1.9251     0.0933	C.2	1	noname	-0.0486
13	C11     3.7253    -2.5887     0.9166	C.2	1	noname	-0.0324
14	C12     4.6498     4.5500     1.1266	C.3	1	noname	-0.0435
15	C13     2.5059    -1.9378     1.2721	C.2	1	noname	-0.0436
16	C14     5.9284    -2.5779    -0.3008	C.2	1	noname	-0.0376
17	C15     3.9471    -3.9305     1.3518	C.2	1	noname	-0.0172
18	C16     5.1500    -4.5811     0.9457	C.2	1	noname	0.0044
19	C17     6.1145    -3.9135     0.1368	C.2	1	noname	-0.0259
20	C18     4.8448    -6.7471     0.3695	C.3	1	noname	0.0423
21	H1     1.9479     1.5237    -0.8322	H	1	noname	0.0360
22	H2     2.3751     3.1285     0.6536	H	1	noname	0.0319
23	H3     3.4333     2.0942     1.4658	H	1	noname	0.0319
24	H4     3.0885     2.5620    -2.4958	H	1	noname	0.0356
25	H5     3.6106     0.9567    -2.6813	H	1	noname	0.0356
26	H6     5.2180    -0.1404    -0.9258	H	1	noname	0.0632
27	H7     5.9053     4.0228    -0.9762	H	1	noname	0.0659
28	H8     1.4297    -0.1363     0.9927	H	1	noname	0.0625
29	H9     3.7711     5.1932     1.1738	H	1	noname	0.0276
30	H10     4.8595     4.1480     2.1178	H	1	noname	0.0276
31	H11     5.5060     5.1292     0.7808	H	1	noname	0.0276
32	H12     1.8117    -2.3952     1.8631	H	1	noname	0.0629
33	H13     6.6267    -2.1046    -0.8742	H	1	noname	0.0630
34	H14     3.2638    -4.4109     1.9373	H	1	noname	0.0656
35	H15     6.9628    -4.4104    -0.1350	H	1	noname	0.0650
36	H16     5.0296    -7.7743     0.6838	H	1	noname	0.0535
37	H17     3.7712    -6.5830     0.2770	H	1	noname	0.0535
38	H18     5.3238    -6.5702    -0.5936	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	8	2
2	2	18	1
3	2	20	1
4	3	4	1
5	3	5	1
6	3	6	1
7	3	21	1
8	4	7	1
9	4	22	1
10	4	23	1
11	5	8	1
12	5	24	1
13	5	25	1
14	6	10	2
15	6	11	1
16	7	9	2
17	7	14	1
18	8	9	1
19	9	27	1
20	10	12	1
21	10	26	1
22	11	15	2
23	11	28	1
24	12	13	2
25	12	16	1
26	13	15	1
27	13	17	1
28	14	29	1
29	14	30	1
30	14	31	1
31	15	32	1
32	16	19	2
33	16	33	1
34	17	18	2
35	17	34	1
36	18	19	1
37	19	35	1
38	20	36	1
39	20	37	1
40	20	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1