@<TRIPOS>MOLECULE
50336405
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.5238    -2.1962    -0.6630	O.2	1	noname	-0.2748
2	C1     2.1001    -1.1762    -0.2273	C.2	1	noname	0.0977
3	N1     3.4527    -1.2584     0.1811	N.3	1	noname	-0.1323
4	C2     1.3831     0.0618    -0.1475	C.2	1	noname	0.0320
5	C3     4.1361    -2.4264     0.1584	C.2	1	noname	0.0000
6	C4    -0.0050     0.0063     0.1658	C.2	1	noname	0.0692
7	C5     2.0533     1.2747    -0.4754	C.2	1	noname	0.0037
8	C6     5.5085    -2.3788     0.4904	C.2	1	noname	0.0177
9	C7     3.5674    -3.7195    -0.1654	C.2	1	noname	-0.0203
10	N2    -0.6648    -1.1792     0.4595	N.2	1	noname	-0.2526
11	C8    -0.7198     1.2502     0.1515	C.2	1	noname	-0.0228
12	C9     1.3332     2.4870    -0.4735	C.2	1	noname	-0.0406
13	N3     6.2056    -3.5713     0.4846	N.2	1	noname	-0.2564
14	C10     4.2885    -4.9367    -0.1691	C.2	1	noname	-0.0275
15	C11    -1.9933    -1.2097     0.7527	C.2	1	noname	0.0606
16	C12    -2.0934     1.1911     0.4581	C.2	1	noname	0.0495
17	C13    -0.0525     2.4735    -0.1599	C.2	1	noname	-0.0104
18	C14     5.6473    -4.7970     0.1759	C.2	1	noname	-0.0040
19	N4    -2.6636    -0.0219     0.7444	N.2	1	noname	-0.2478
20	C15    -2.6737    -2.4635     1.0636	C.3	1	noname	0.0675
21	N5    -2.8340     2.3078     0.4696	N.3	1	noname	-0.1121
22	C16     6.4933    -5.9864     0.2084	C.3	1	noname	0.0302
23	H1     3.9548    -0.4439     0.5046	H	1	noname	0.1375
24	H2     3.1138     1.2753    -0.7271	H	1	noname	0.0631
25	H3     6.0155    -1.4478     0.7440	H	1	noname	0.0856
26	H4     2.5112    -3.7816    -0.4275	H	1	noname	0.0640
27	H5     1.8409     3.4218    -0.7111	H	1	noname	0.0623
28	H6     3.8370    -5.8975    -0.4161	H	1	noname	0.0642
29	H7    -0.6091     3.4107    -0.1581	H	1	noname	0.0630
30	H8    -2.7386    -2.5832     2.1451	H	1	noname	0.0312
31	H9    -3.6774    -2.4472     0.6389	H	1	noname	0.0312
32	H10    -2.1129    -3.2962     0.6389	H	1	noname	0.0312
33	H11    -2.3841     3.2121     0.4740	H	1	noname	0.1258
34	H12    -3.8421     2.2453     0.4740	H	1	noname	0.1258
35	H13     6.6906    -6.2638     1.2439	H	1	noname	0.0295
36	H14     5.9852    -6.8076    -0.2972	H	1	noname	0.0295
37	H15     7.4357    -5.7759    -0.2972	H	1	noname	0.0295
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	2
7	5	8	2
8	5	9	1
9	6	10	2
10	6	11	1
11	7	12	1
12	8	13	1
13	9	14	2
14	10	15	1
15	11	16	2
16	11	17	1
17	12	17	2
18	13	18	2
19	14	18	1
20	15	19	2
21	15	20	1
22	16	21	1
23	16	19	1
24	18	22	1
25	3	23	1
26	7	24	1
27	8	25	1
28	9	26	1
29	12	27	1
30	14	28	1
31	17	29	1
32	20	30	1
33	20	31	1
34	20	32	1
35	21	33	1
36	21	34	1
37	22	35	1
38	22	36	1
39	22	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1