@<TRIPOS>MOLECULE
71587623
37 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.0285     1.7142    -1.2891	O.3	1	noname	-0.3434
2	O2    -0.2772    -0.0835     0.0703	O.3	1	noname	-0.3461
3	C1     1.2995     1.4690    -0.8811	C.3	1	noname	0.0817
4	C2    -0.7636     1.2196    -0.1802	C.3	1	noname	0.1773
5	C3     1.1126     0.1416    -0.1502	C.3	1	noname	0.0763
6	C4    -2.1512     1.1534    -0.5195	C.2	1	noname	-0.0448
7	C5    -3.0341     0.7158     0.3737	C.2	1	noname	-0.0571
8	C6    -2.5957     0.3114     1.6734	C.3	1	noname	-0.0286
9	C7     2.1800     1.2530    -2.1136	C.3	1	noname	-0.0363
10	C8    -2.6212     1.5150     2.6177	C.3	1	noname	-0.0311
11	C9    -4.4217     0.6496     0.0345	C.3	1	noname	-0.0437
12	C10    -2.1829     1.1106     3.9174	C.2	1	noname	-0.0837
13	C11    -2.1242     1.9988     4.9056	C.2	1	noname	-0.0821
14	C12    -1.6858     1.5944     6.2053	C.3	1	noname	-0.0442
15	C13    -2.4994     3.3582     4.6684	C.3	1	noname	-0.0442
16	H1     1.6357     2.2418    -0.1899	H	1	noname	0.0625
17	H2    -0.5522     1.8450     0.6871	H	1	noname	0.0971
18	H3     1.5201    -0.6675    -0.7564	H	1	noname	0.0594
19	H4     1.6576     0.2017     0.7919	H	1	noname	0.0594
20	H5    -2.4547     1.4334    -1.4193	H	1	noname	0.0628
21	H6    -3.2593    -0.4643     2.0556	H	1	noname	0.0315
22	H7    -1.5799    -0.0786     1.6093	H	1	noname	0.0315
23	H8     3.2061     1.0636    -1.7984	H	1	noname	0.0257
24	H9     1.8099     0.3979    -2.6792	H	1	noname	0.0257
25	H10     2.1513     2.1437    -2.7413	H	1	noname	0.0257
26	H11    -3.6370     1.9050     2.6818	H	1	noname	0.0313
27	H12    -1.9577     2.2907     2.2355	H	1	noname	0.0313
28	H13    -4.9924     1.2829     0.7137	H	1	noname	0.0276
29	H14    -4.7681    -0.3803     0.1206	H	1	noname	0.0276
30	H15    -4.5623     0.9958    -0.9895	H	1	noname	0.0276
31	H16    -1.9231     0.1695     4.0816	H	1	noname	0.0575
32	H17    -3.3304     3.6249     5.3214	H	1	noname	0.0276
33	H18    -2.8028     3.4751     3.6280	H	1	noname	0.0276
34	H19    -1.6511     4.0106     4.8750	H	1	noname	0.0276
35	H20    -2.4789     1.7789     6.9299	H	1	noname	0.0276
36	H21    -1.4449     0.5314     6.1931	H	1	noname	0.0276
37	H22    -0.7995     2.1646     6.4835	H	1	noname	0.0276
@<TRIPOS>BOND
1	1	3	1
2	1	4	1
3	2	4	1
4	2	5	1
5	3	5	1
6	3	9	1
7	3	16	1
8	4	6	1
9	4	17	1
10	5	18	1
11	5	19	1
12	6	7	2
13	6	20	1
14	7	8	1
15	7	11	1
16	8	10	1
17	8	21	1
18	8	22	1
19	9	23	1
20	9	24	1
21	9	25	1
22	10	12	1
23	10	26	1
24	10	27	1
25	11	28	1
26	11	29	1
27	11	30	1
28	12	13	2
29	12	31	1
30	13	14	1
31	13	15	1
32	14	35	1
33	14	36	1
34	14	37	1
35	15	32	1
36	15	33	1
37	15	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1