@<TRIPOS>MOLECULE
72941793
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.4389    -2.4796    -1.3326	O.2	1	noname	-0.2741
2	N1     2.3226    -0.7391    -0.5515	N.3	1	noname	0.0488
3	N2    -0.5639    -0.9176     0.1563	N.3	1	noname	-0.1282
4	N3     2.1225     1.5511    -0.3078	N.2	1	noname	-0.2597
5	N4     3.2146    -2.7844    -0.9460	N.2	1	noname	-0.2413
6	C1     3.5757    -0.5781     0.0746	C.3	1	noname	0.0108
7	C2     1.5257     0.3163    -0.2467	C.2	1	noname	0.0485
8	C3     2.0761    -2.0551    -0.7340	C.2	1	noname	0.0722
9	C4     0.1392     0.2404     0.1024	C.2	1	noname	0.0040
10	C5     3.3828    -0.5057     1.5906	C.3	1	noname	-0.0424
11	C6     0.8333    -2.7373    -0.7565	C.2	1	noname	0.0220
12	C7    -0.5590     1.4495     0.3914	C.2	1	noname	-0.0176
13	C8    -0.4564    -2.0637    -0.6813	C.2	1	noname	0.0977
14	C9     4.7425    -0.3310     2.2700	C.3	1	noname	-0.0641
15	C10     0.8212    -4.1341    -1.0000	C.2	1	noname	0.0039
16	C11     0.0958     2.7050     0.3208	C.2	1	noname	-0.0504
17	C12    -1.9692     1.3938     0.7657	C.3	1	noname	0.0089
18	C13     1.4648     2.7269    -0.0447	C.2	1	noname	-0.0101
19	C14     2.0316    -4.8513    -1.2311	C.2	1	noname	-0.0358
20	C15     3.2530    -4.1362    -1.1931	C.2	1	noname	0.0137
21	H1     4.0418     0.3424    -0.2768	H	1	noname	0.0439
22	H2     4.2157    -1.4258    -0.1702	H	1	noname	0.0439
23	H3     2.7428     0.3419     1.8354	H	1	noname	0.0277
24	H4     2.9167    -1.4263     1.9420	H	1	noname	0.0277
25	H5    -1.2294    -0.9725     0.8599	H	1	noname	0.1375
26	H6     4.6051    -0.2794     3.3500	H	1	noname	0.0231
27	H7     5.2086     0.5896     1.9186	H	1	noname	0.0231
28	H8     5.3826    -1.1787     2.0252	H	1	noname	0.0231
29	H9    -0.0679    -4.6339    -1.0101	H	1	noname	0.0632
30	H10    -0.4050     3.5692     0.5274	H	1	noname	0.0642
31	H11    -2.5585     1.9636     0.0472	H	1	noname	0.0280
32	H12    -2.3036     0.3564     0.7685	H	1	noname	0.0280
33	H13    -2.0981     1.8199     1.7606	H	1	noname	0.0280
34	H14     1.9610     3.6155    -0.1121	H	1	noname	0.0839
35	H15     2.0180    -5.8538    -1.4189	H	1	noname	0.0639
36	H16     4.1416    -4.6133    -1.3456	H	1	noname	0.0839
@<TRIPOS>BOND
1	1	13	2
2	2	6	1
3	2	7	1
4	2	8	1
5	3	9	1
6	3	13	1
7	3	25	1
8	4	7	2
9	4	18	1
10	5	8	1
11	5	20	2
12	6	10	1
13	6	21	1
14	6	22	1
15	7	9	1
16	8	11	2
17	9	12	2
18	10	14	1
19	10	23	1
20	10	24	1
21	11	13	1
22	11	15	1
23	12	16	1
24	12	17	1
25	14	26	1
26	14	27	1
27	14	28	1
28	15	19	2
29	15	29	1
30	16	18	2
31	16	30	1
32	17	31	1
33	17	32	1
34	17	33	1
35	18	34	1
36	19	20	1
37	19	35	1
38	20	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1