@<TRIPOS>MOLECULE
119025775
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.2158     2.7066     2.7131	O.2	1	noname	-0.2969
2	O2    -8.1750     3.4163     2.3834	O.3	1	noname	-0.2425
3	O3    -7.9974     2.4406     0.2091	O.3	1	noname	-0.2333
4	O4    -5.4669     1.7761    -1.1384	O.3	1	noname	-0.2640
5	N1    -1.8140     5.8906     5.3687	N.3	1	noname	-0.3028
6	C1    -0.4845     5.9761     5.9218	C.3	1	noname	-0.0017
7	C2    -2.6317     5.7693     6.5859	C.3	1	noname	-0.0017
8	C3    -0.6703     7.0527     6.9754	C.3	1	noname	-0.0392
9	C4    -2.0898     6.8523     7.5095	C.3	1	noname	-0.0392
10	C5    -1.8527     4.7459     4.4729	C.3	1	noname	0.0055
11	C6    -3.1883     4.7025     3.7320	C.3	1	noname	0.0236
12	C7    -3.2068     3.4565     2.8476	C.2	1	noname	0.0960
13	C8    -4.4997     3.2113     2.1617	C.2	1	noname	-0.0108
14	C9    -5.7703     3.4756     2.7764	C.2	1	noname	0.0105
15	C10    -4.3888     2.6439     0.8576	C.2	1	noname	0.0097
16	C11    -6.9011     3.1810     2.0099	C.2	1	noname	0.0509
17	C12    -6.7840     2.6216     0.7312	C.2	1	noname	0.0710
18	C13    -5.5402     2.3223     0.0940	C.2	1	noname	0.0498
19	C14    -8.8546     2.7182     1.3368	C.3	1	noname	0.1588
20	C15    -5.4584     0.3604    -1.0289	C.3	1	noname	0.0424
21	H1    -3.6733     5.9835     6.3467	H	1	noname	0.0430
22	H2    -2.4910     4.7773     7.0152	H	1	noname	0.0430
23	H3    -0.2313     5.0332     6.4065	H	1	noname	0.0430
24	H4     0.2895     6.1702     5.1792	H	1	noname	0.0430
25	H5    -2.6632     7.7688     7.3704	H	1	noname	0.0280
26	H6    -2.1244     6.5033     8.5416	H	1	noname	0.0280
27	H7    -0.5929     8.0348     6.5089	H	1	noname	0.0280
28	H8     0.0905     6.9266     7.7457	H	1	noname	0.0280
29	H9    -1.7269     3.8292     5.0490	H	1	noname	0.0435
30	H10    -1.0401     4.7905     3.7478	H	1	noname	0.0435
31	H11    -4.0028     4.6474     4.4543	H	1	noname	0.0363
32	H12    -3.3769     5.5915     3.1303	H	1	noname	0.0363
33	H13    -5.8434     3.8571     3.7196	H	1	noname	0.0658
34	H14    -3.4637     2.4661     0.4666	H	1	noname	0.0658
35	H15    -9.7118     3.3046     1.0060	H	1	noname	0.0892
36	H16    -9.1549     1.7540     1.7469	H	1	noname	0.0892
37	H17    -5.3992    -0.0807    -2.0239	H	1	noname	0.0535
38	H18    -6.3733     0.0284    -0.5382	H	1	noname	0.0535
39	H19    -4.5961     0.0466    -0.4405	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	12	2
2	2	16	1
3	2	19	1
4	3	17	1
5	3	19	1
6	4	18	1
7	4	20	1
8	5	6	1
9	5	7	1
10	5	10	1
11	6	8	1
12	6	23	1
13	6	24	1
14	7	9	1
15	7	21	1
16	7	22	1
17	8	9	1
18	8	27	1
19	8	28	1
20	9	25	1
21	9	26	1
22	10	11	1
23	10	29	1
24	10	30	1
25	11	12	1
26	11	31	1
27	11	32	1
28	12	13	1
29	13	14	2
30	13	15	1
31	14	16	1
32	14	33	1
33	15	18	2
34	15	34	1
35	16	17	2
36	17	18	1
37	19	35	1
38	19	36	1
39	20	37	1
40	20	38	1
41	20	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1