@<TRIPOS>MOLECULE
71587286
39 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.2168    -1.5895     0.7748	O.2	1	noname	-0.2709
2	O2    -1.4980    -2.2282     5.3993	O.3	1	noname	-0.2148
3	O3    -0.3477     3.7207     3.6482	O.3	1	noname	-0.2148
4	O4    -0.0640    -0.5243     5.0636	O.2	1	noname	-0.2507
5	O5     0.1901     2.3975     1.9068	O.2	1	noname	-0.2507
6	N1    -0.9456     0.2280     2.7482	N.3	1	noname	-0.2757
7	N2    -0.6563    -0.7417    -0.5714	N.3	1	noname	-0.1381
8	C1    -1.5579     0.5303     1.4485	C.3	1	noname	0.0737
9	C2     0.3680     0.0753    -1.0340	C.2	1	noname	-0.0368
10	C3    -1.4642    -0.6253     0.5283	C.2	1	noname	0.1363
11	C4    -1.0601     1.3932     3.6237	C.3	1	noname	0.0857
12	C5    -1.6330    -0.9092     3.3580	C.3	1	noname	0.0857
13	C6     1.3668     0.6148    -0.1684	C.2	1	noname	-0.0366
14	C7     0.4618     0.3758    -2.4343	C.2	1	noname	-0.0366
15	C8     2.1130     1.7301    -0.6111	C.2	1	noname	-0.0703
16	C9     1.3952     1.3292    -2.8916	C.2	1	noname	-0.0703
17	C10     1.7242    -0.0211     1.1477	C.3	1	noname	0.0053
18	C11    -0.4140    -0.2491    -3.4410	C.3	1	noname	0.0053
19	C12     2.1501     2.0676    -1.9683	C.2	1	noname	-0.0662
20	C13    -0.3736     2.5288     3.0147	C.2	1	noname	0.1422
21	C14    -1.0241    -1.2099     4.6504	C.2	1	noname	0.1422
22	H1    -2.6052     0.7956     1.5932	H	1	noname	0.0527
23	H2    -0.9975     1.3792     1.0569	H	1	noname	0.0527
24	H3    -2.1125     1.6386     3.7661	H	1	noname	0.0539
25	H4    -0.6055     1.1687     4.5886	H	1	noname	0.0539
26	H5    -2.6854    -0.6637     3.5004	H	1	noname	0.0539
27	H6    -1.5476    -1.7779     2.7052	H	1	noname	0.0539
28	H7    -0.9122    -1.4807    -1.1496	H	1	noname	0.1371
29	H8     2.6327     2.3215     0.0654	H	1	noname	0.0625
30	H9     1.5212     1.5627    -3.8805	H	1	noname	0.0625
31	H10     2.5074     0.5620     1.6321	H	1	noname	0.0280
32	H11     0.8431    -0.0493     1.7888	H	1	noname	0.0280
33	H12     2.0810    -1.0365     0.9756	H	1	noname	0.0280
34	H13    -1.4536    -0.0104    -3.2165	H	1	noname	0.0280
35	H14    -0.2769    -1.3303    -3.4209	H	1	noname	0.0280
36	H15    -0.1594     0.1311    -4.4303	H	1	noname	0.0280
37	H16     2.7375     2.8567    -2.2755	H	1	noname	0.0622
38	H17    -1.4384    -2.1869     6.3766	H	1	noname	0.2213
39	H18     0.4119     4.3267     3.5211	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	10	2
2	2	21	1
3	2	38	1
4	3	20	1
5	3	39	1
6	4	21	2
7	5	20	2
8	6	8	1
9	6	11	1
10	6	12	1
11	7	9	1
12	7	10	1
13	7	28	1
14	8	10	1
15	8	22	1
16	8	23	1
17	9	13	2
18	9	14	1
19	11	20	1
20	11	24	1
21	11	25	1
22	12	21	1
23	12	26	1
24	12	27	1
25	13	15	1
26	13	17	1
27	14	16	2
28	14	18	1
29	15	19	2
30	15	29	1
31	16	19	1
32	16	30	1
33	17	31	1
34	17	32	1
35	17	33	1
36	18	34	1
37	18	35	1
38	18	36	1
39	19	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1