@<TRIPOS>MOLECULE
72941465
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -2.9555    -2.8925    -0.6766	O.3	1	noname	-0.2680
2	O2    -0.3721    -3.6487    -0.1061	O.3	1	noname	-0.2672
3	N1    -0.5068     2.7000    -0.9085	N.3	1	noname	-0.2992
4	C1    -1.6746     1.8551    -0.5001	C.3	1	noname	0.0321
5	C2    -1.3179     0.4069    -0.4952	C.2	1	noname	-0.0514
6	C3     0.7580     2.4758    -0.1434	C.3	1	noname	0.0026
7	C4     1.1417     0.9835     0.0170	C.3	1	noname	0.0154
8	C5     0.0313     0.0062    -0.1998	C.2	1	noname	-0.0492
9	C6    -2.1892     2.2625     0.9002	C.3	1	noname	-0.0453
10	C7    -2.3511    -0.5847    -0.6827	C.2	1	noname	-0.0142
11	C8    -0.2510     2.5203    -2.3366	C.3	1	noname	-0.0127
12	C9     0.3699    -1.3724    -0.0740	C.2	1	noname	-0.0215
13	C10    -2.0037    -1.9457    -0.5343	C.2	1	noname	0.0205
14	C11    -0.6644    -2.3372    -0.2364	C.2	1	noname	0.0247
15	C12    -3.5587    -3.1504     0.5827	C.3	1	noname	0.0424
16	C13     0.0011    -4.1783    -1.3696	C.3	1	noname	0.0424
17	H1    -2.5118     2.0315    -1.1830	H	1	noname	0.0515
18	H2     0.6742     2.9372     0.8405	H	1	noname	0.0434
19	H3     1.5820     2.9824    -0.6459	H	1	noname	0.0434
20	H4     1.5782     0.8246     1.0031	H	1	noname	0.0329
21	H5     1.9202     0.7127    -0.6962	H	1	noname	0.0329
22	H6    -3.0369     1.6338     1.1729	H	1	noname	0.0250
23	H7    -2.5018     3.3065     0.8829	H	1	noname	0.0250
24	H8    -1.3915     2.1341     1.6319	H	1	noname	0.0250
25	H9    -3.3052    -0.3098    -0.9159	H	1	noname	0.0654
26	H10     0.5987     3.1351    -2.6337	H	1	noname	0.0394
27	H11    -1.1321     2.8196    -2.9041	H	1	noname	0.0394
28	H12    -0.0287     1.4721    -2.5368	H	1	noname	0.0394
29	H13     1.3276    -1.6602     0.1271	H	1	noname	0.0654
30	H14    -4.3271    -3.9149     0.4678	H	1	noname	0.0535
31	H15    -4.0112    -2.2347     0.9632	H	1	noname	0.0535
32	H16    -2.8007    -3.4997     1.2839	H	1	noname	0.0535
33	H17     0.2371    -5.2372    -1.2644	H	1	noname	0.0535
34	H18    -0.8237    -4.0580    -2.0720	H	1	noname	0.0535
35	H19     0.8764    -3.6463    -1.7424	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	13	1
2	1	15	1
3	2	14	1
4	2	16	1
5	3	4	1
6	3	6	1
7	3	11	1
8	4	5	1
9	4	9	1
10	4	17	1
11	5	8	1
12	5	10	2
13	6	7	1
14	6	18	1
15	6	19	1
16	7	8	1
17	7	20	1
18	7	21	1
19	8	12	2
20	9	22	1
21	9	23	1
22	9	24	1
23	10	13	1
24	10	25	1
25	11	26	1
26	11	27	1
27	11	28	1
28	12	14	1
29	12	29	1
30	13	14	2
31	15	30	1
32	15	31	1
33	15	32	1
34	16	33	1
35	16	34	1
36	16	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1