@<TRIPOS>MOLECULE
71587262
40 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.2229    -0.6511    -0.2817	O.3	1	noname	-0.2025
2	O2    -2.8815    -0.4128    -1.7166	O.2	1	noname	-0.2537
3	C1     0.0522    -0.5787     0.3827	C.3	1	noname	0.0753
4	C2     2.2482     1.5783    -0.1210	C.3	1	noname	-0.0206
5	C3     1.1883    -0.8227    -0.6583	C.3	1	noname	-0.0229
6	C4     0.2211     0.6672     1.3186	C.3	1	noname	-0.0229
7	C5     0.8889     1.8935     0.6339	C.3	1	noname	-0.0440
8	C6     2.4656     0.0688    -0.5456	C.3	1	noname	-0.0440
9	C7     0.0101    -1.8407     1.2472	C.3	1	noname	-0.0352
10	C8     2.6125     2.5209    -1.2362	C.2	1	noname	-0.0851
11	C9     4.0184     2.7749    -1.5146	C.3	1	noname	-0.0439
12	C10    -1.8419     0.0895    -1.2394	C.2	1	noname	0.1417
13	C11     1.7038     3.1399    -2.0291	C.2	1	noname	-0.0920
14	C12    -1.4124     1.3803    -1.7886	C.3	1	noname	0.0334
15	C13    -2.0800     2.5840    -1.1144	C.3	1	noname	-0.0468
16	C14    -3.5968     2.4922    -1.2929	C.3	1	noname	-0.0649
17	H1     2.9720     1.7222     0.6989	H	1	noname	0.0348
18	H2     0.7801    -0.7469    -1.6661	H	1	noname	0.0296
19	H3     1.4929    -1.8673    -0.5944	H	1	noname	0.0296
20	H4    -0.7514     0.9578     1.7158	H	1	noname	0.0296
21	H5     0.8995     0.3582     2.1138	H	1	noname	0.0296
22	H6     3.0187     0.0314    -1.4841	H	1	noname	0.0274
23	H7     3.0504    -0.3725     0.2615	H	1	noname	0.0274
24	H8     0.1843     2.3496    -0.0616	H	1	noname	0.0274
25	H9     1.0622     2.6710     1.3779	H	1	noname	0.0274
26	H10     0.9337    -1.9192     1.8207	H	1	noname	0.0260
27	H11    -0.8379    -1.7853     1.9298	H	1	noname	0.0260
28	H12    -0.0956    -2.7164     0.6068	H	1	noname	0.0260
29	H13     4.4926     3.2013    -0.6306	H	1	noname	0.0276
30	H14     4.1035     3.4748    -2.3459	H	1	noname	0.0276
31	H15     4.5120     1.8388    -1.7759	H	1	noname	0.0276
32	H16     1.9589     3.6820    -2.8298	H	1	noname	0.0537
33	H17     0.7355     3.0846    -1.8832	H	1	noname	0.0537
34	H18    -1.6149     1.4050    -2.8593	H	1	noname	0.0372
35	H19    -0.3481     1.5102    -1.5927	H	1	noname	0.0372
36	H20    -1.8387     2.5851    -0.0514	H	1	noname	0.0269
37	H21    -1.7155     3.5044    -1.5706	H	1	noname	0.0269
38	H22    -4.0716     3.3482    -0.8134	H	1	noname	0.0230
39	H23    -3.9613     1.5718    -0.8366	H	1	noname	0.0230
40	H24    -3.8381     2.4911    -2.3559	H	1	noname	0.0230
@<TRIPOS>BOND
1	1	3	1
2	1	12	1
3	2	12	2
4	3	5	1
5	3	6	1
6	3	9	1
7	4	7	1
8	4	8	1
9	4	10	1
10	4	17	1
11	5	8	1
12	5	18	1
13	5	19	1
14	6	7	1
15	6	20	1
16	6	21	1
17	7	24	1
18	7	25	1
19	8	22	1
20	8	23	1
21	9	26	1
22	9	27	1
23	9	28	1
24	10	11	1
25	10	13	2
26	11	29	1
27	11	30	1
28	11	31	1
29	12	14	1
30	13	32	1
31	13	33	1
32	14	15	1
33	14	34	1
34	14	35	1
35	15	16	1
36	15	36	1
37	15	37	1
38	16	38	1
39	16	39	1
40	16	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1