@<TRIPOS>MOLECULE
50362909
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.6139     1.0816    -1.7281	O.2	1	noname	-0.2498
2	C1     1.6514     0.6433    -1.0618	C.2	1	noname	0.1391
3	N1     0.5230     0.1458    -1.6093	N.3	1	noname	-0.0768
4	N2     1.6225     0.6137     0.2880	N.3	1	noname	-0.0857
5	C2    -0.2519    -0.2079    -0.5740	C.2	1	noname	0.0948
6	C3     0.2220     0.0235    -2.9814	C.3	1	noname	0.0372
7	C4     0.4550     0.0428     0.6064	C.2	1	noname	0.0834
8	N3    -1.4992    -0.7661    -0.5093	N.2	1	noname	-0.2015
9	C5     0.6997    -1.3385    -3.4889	C.3	1	noname	0.0600
10	N4    -0.0994    -0.3158     1.8097	N.2	1	noname	-0.2045
11	C6    -2.0779    -1.1120     0.6863	C.2	1	noname	0.0498
12	O2     0.3966    -1.4616    -4.8708	O.3	1	noname	-0.3831
13	C7    -1.3405    -0.8950     1.8921	C.2	1	noname	0.0365
14	C8    -3.3541    -1.6616     0.7242	C.2	1	noname	-0.0409
15	C9     0.8400    -2.7257    -5.3418	C.3	1	noname	0.0356
16	C10    -4.2855    -1.3239    -0.2508	C.2	1	noname	-0.0207
17	C11    -3.6989    -2.5489     1.7371	C.2	1	noname	-0.0207
18	C12    -5.5617    -1.8735    -0.2129	C.2	1	noname	-0.0231
19	C13    -4.9751    -3.0985     1.7750	C.2	1	noname	-0.0231
20	C14    -5.9065    -2.7608     0.8000	C.2	1	noname	0.0104
21	O3    -7.1459    -3.2946     0.8368	O.3	1	noname	-0.2848
22	H1     2.3285     0.9494     0.9276	H	1	noname	0.1401
23	H2    -0.8661     0.0459    -3.0412	H	1	noname	0.0465
24	H3     0.8111     0.7960    -3.4759	H	1	noname	0.0465
25	H4     1.7877    -1.3594    -3.4269	H	1	noname	0.0580
26	H5     0.1106    -2.1095    -2.9922	H	1	noname	0.0580
27	H6    -1.7245    -1.1711     2.8741	H	1	noname	0.0863
28	H7     1.0662    -3.3709    -4.4928	H	1	noname	0.0529
29	H8     0.0571    -3.1829    -5.9470	H	1	noname	0.0529
30	H9     1.7368    -2.5938    -5.9470	H	1	noname	0.0529
31	H10    -4.0151    -0.6281    -1.0451	H	1	noname	0.0630
32	H11    -2.9686    -2.8137     2.5017	H	1	noname	0.0630
33	H12    -6.2920    -1.6087    -0.9775	H	1	noname	0.0650
34	H13    -5.2455    -3.7942     2.5693	H	1	noname	0.0650
35	H14    -7.4170    -3.4113     1.7503	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	1
7	5	8	1
8	5	7	2
9	6	9	1
10	7	10	1
11	8	11	2
12	9	12	1
13	10	13	2
14	11	14	1
15	11	13	1
16	12	15	1
17	14	16	2
18	14	17	1
19	16	18	1
20	17	19	2
21	18	20	2
22	19	20	1
23	20	21	1
24	4	22	1
25	6	23	1
26	6	24	1
27	9	25	1
28	9	26	1
29	13	27	1
30	15	28	1
31	15	29	1
32	15	30	1
33	16	31	1
34	17	32	1
35	18	33	1
36	19	34	1
37	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1