@<TRIPOS>MOLECULE
50362907
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.9403    -0.2881    -0.4323	O.2	1	noname	-0.2496
2	C1     1.0958     0.5823    -0.7350	C.2	1	noname	0.1396
3	N1     0.4589     0.6303    -1.9236	N.3	1	noname	-0.0758
4	N2     0.7169     1.5818     0.0903	N.3	1	noname	-0.0856
5	C2    -0.3486     1.6982    -1.8546	C.2	1	noname	0.0949
6	C3     0.6107    -0.2562    -3.0096	C.3	1	noname	0.0388
7	C4    -0.2192     2.2622    -0.5814	C.2	1	noname	0.0836
8	N3    -1.2307     2.2415    -2.7481	N.2	1	noname	-0.2013
9	C5    -0.3419    -1.3547    -2.8779	C.2	1	noname	-0.0483
10	N4    -1.0124     3.3276    -0.2356	N.2	1	noname	-0.2044
11	C6    -2.0170     3.3198    -2.4268	C.2	1	noname	0.0499
12	C7    -1.2913    -1.5740    -3.8692	C.2	1	noname	-0.0529
13	C8    -0.2994    -2.1814    -1.7612	C.2	1	noname	-0.0529
14	C9    -1.9167     3.8727    -1.1118	C.2	1	noname	0.0366
15	C10    -2.8923     3.8629    -3.3600	C.2	1	noname	-0.0409
16	C11    -2.1982    -2.6199    -3.7438	C.2	1	noname	-0.0594
17	C12    -1.2063    -3.2273    -1.6359	C.2	1	noname	-0.0594
18	C13    -2.5921     3.7962    -4.7155	C.2	1	noname	-0.0207
19	C14    -4.0679     4.4726    -2.9377	C.2	1	noname	-0.0207
20	C15    -2.1557    -3.4466    -2.6272	C.2	1	noname	-0.0613
21	C16    -3.4675     4.3393    -5.6488	C.2	1	noname	-0.0231
22	C17    -4.9433     5.0157    -3.8709	C.2	1	noname	-0.0231
23	C18    -4.6431     4.9490    -5.2264	C.2	1	noname	0.0104
24	O2    -5.4932     5.4765    -6.1328	O.3	1	noname	-0.2848
25	H1     1.0624     1.7797     1.0185	H	1	noname	0.1401
26	H2     0.3368     0.3070    -3.9018	H	1	noname	0.0491
27	H3     1.6108    -0.6798    -2.9182	H	1	noname	0.0491
28	H4    -1.3246    -0.9258    -4.7449	H	1	noname	0.0626
29	H5     0.4451    -2.0094    -0.9839	H	1	noname	0.0626
30	H6    -2.5295     4.7098    -0.7775	H	1	noname	0.0863
31	H7    -2.9427    -2.7919    -4.5212	H	1	noname	0.0622
32	H8    -1.1729    -3.8755    -0.7602	H	1	noname	0.0622
33	H9    -1.6703     3.3180    -5.0467	H	1	noname	0.0630
34	H10    -4.3033     4.5249    -1.8747	H	1	noname	0.0630
35	H11    -2.8668    -4.2667    -2.5289	H	1	noname	0.0622
36	H12    -3.2321     4.2870    -6.7118	H	1	noname	0.0650
37	H13    -5.8651     5.4939    -3.5397	H	1	noname	0.0650
38	H14    -6.2111     5.9219    -5.6769	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	2
13	9	13	1
14	10	14	2
15	11	15	1
16	11	14	1
17	12	16	1
18	13	17	2
19	15	18	2
20	15	19	1
21	16	20	2
22	17	20	1
23	18	21	1
24	19	22	2
25	21	23	2
26	22	23	1
27	23	24	1
28	4	25	1
29	6	26	1
30	6	27	1
31	12	28	1
32	13	29	1
33	14	30	1
34	16	31	1
35	17	32	1
36	18	33	1
37	19	34	1
38	20	35	1
39	21	36	1
40	22	37	1
41	24	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1