@<TRIPOS>MOLECULE
67924798
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.0708    -1.1021    -5.9086	O.3	1	noname	-0.2774
2	O2     0.8667    -5.5214     1.7686	O.3	1	noname	-0.2861
3	N1     0.2460     0.2771    -0.4988	N.2	1	noname	-0.2527
4	C1     2.5407    -0.6327    -0.3637	C.3	1	noname	0.0626
5	C2     2.6792    -0.7553    -1.8119	C.2	1	noname	-0.0601
6	C3     2.1035    -1.9095     0.1933	C.2	1	noname	-0.0609
7	C4     1.5528     0.3969    -0.0546	C.2	1	noname	0.0063
8	C5     3.9107    -0.5260    -2.4142	C.2	1	noname	-0.0415
9	C6     1.5794    -1.1014    -2.5884	C.2	1	noname	-0.0415
10	C7     2.8932    -2.5661     1.1300	C.2	1	noname	-0.0420
11	C8     0.8976    -2.4686    -0.2132	C.2	1	noname	-0.0420
12	C9     1.9170     1.5525     0.7152	C.2	1	noname	-0.0245
13	C10     4.0425    -0.6427    -3.7930	C.2	1	noname	-0.0285
14	C11     1.7112    -1.2181    -3.9672	C.2	1	noname	-0.0285
15	C12     2.9428    -0.9888    -4.5695	C.2	1	noname	0.0019
16	C13     2.4770    -3.7817     1.6602	C.2	1	noname	-0.0301
17	C14     0.4813    -3.6842     0.3170	C.2	1	noname	-0.0301
18	C15     1.2710    -4.3408     1.2537	C.2	1	noname	0.0003
19	C16     0.9012     2.5239     0.9827	C.2	1	noname	-0.0418
20	C17    -0.7563     1.2018    -0.2542	C.2	1	noname	-0.0035
21	C18    -0.4414     2.3747     0.5114	C.2	1	noname	-0.0321
22	C19     3.4250    -2.4370    -6.2390	C.3	1	noname	0.0423
23	H1     3.5014    -0.3566     0.0711	H	1	noname	0.0468
24	H2     4.7177    -0.2720    -1.8444	H	1	noname	0.0626
25	H3     0.6757    -1.2697    -2.1464	H	1	noname	0.0626
26	H4     3.7782    -2.1559     1.4282	H	1	noname	0.0626
27	H5     0.3181    -1.9868    -0.9006	H	1	noname	0.0626
28	H6     2.8688     1.6771     1.0601	H	1	noname	0.0642
29	H7     4.9463    -0.4744    -4.2350	H	1	noname	0.0650
30	H8     0.9042    -1.4720    -4.5370	H	1	noname	0.0650
31	H9     3.0564    -4.2635     2.3475	H	1	noname	0.0650
32	H10    -0.4037    -4.0944     0.0187	H	1	noname	0.0650
33	H11     1.1425     3.3513     1.5282	H	1	noname	0.0623
34	H12    -1.6999     1.0521    -0.6113	H	1	noname	0.0839
35	H13    -1.1516     3.0786     0.7127	H	1	noname	0.0638
36	H14     1.5348    -5.8445     2.4087	H	1	noname	0.2181
37	H15     3.5283    -2.5285    -7.3202	H	1	noname	0.0535
38	H16     2.6474    -3.1163    -5.8895	H	1	noname	0.0535
39	H17     4.3710    -2.6908    -5.7607	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	15	1
2	1	22	1
3	2	18	1
4	2	36	1
5	3	7	1
6	3	20	2
7	4	5	1
8	4	6	1
9	4	7	1
10	4	23	1
11	5	8	2
12	5	9	1
13	6	10	2
14	6	11	1
15	7	12	2
16	8	13	1
17	8	24	1
18	9	14	2
19	9	25	1
20	10	16	1
21	10	26	1
22	11	17	2
23	11	27	1
24	12	19	1
25	12	28	1
26	13	15	2
27	13	29	1
28	14	15	1
29	14	30	1
30	16	18	2
31	16	31	1
32	17	18	1
33	17	32	1
34	19	21	2
35	19	33	1
36	20	21	1
37	20	34	1
38	21	35	1
39	22	37	1
40	22	38	1
41	22	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1