@<TRIPOS>MOLECULE
71587097
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.6790    -2.3350     1.9603	O.3	1	noname	-0.1961
2	O2    -1.2354    -1.6796     4.2230	O.2	1	noname	-0.2583
3	N1     2.2427    -2.7333     0.3920	N.3	1	noname	-0.3133
4	N2    -1.3895    -0.0028    -3.2095	N.3	1	noname	-0.0755
5	C1     0.0114    -1.6127     0.9143	C.3	1	noname	0.1383
6	C2     0.8289    -2.6222    -0.0114	C.3	1	noname	0.0486
7	C3     0.8363    -2.3946    -1.5674	C.3	1	noname	-0.0070
8	C4    -0.9645    -0.7302     0.2129	C.2	1	noname	-0.0168
9	C5    -0.9619    -0.6330    -1.1717	C.2	1	noname	-0.0200
10	C6    -0.1489    -1.3795    -2.0043	C.2	1	noname	-0.0276
11	C7     0.8367    -0.6857     1.6447	C.2	1	noname	0.0011
12	C8    -1.7359     0.2275    -1.9293	C.2	1	noname	-0.0848
13	C9    -1.7952     0.1033     0.9527	C.2	1	noname	-0.0381
14	C10    -0.4435    -0.9587    -3.2971	C.2	1	noname	-0.1051
15	C11     0.5473    -0.6880     2.9370	C.2	1	noname	0.0678
16	C12    -0.5483    -1.5793     3.1835	C.2	1	noname	0.1028
17	C13    -2.8431     0.8479    -1.3625	C.2	1	noname	-0.0428
18	C14    -2.8102     0.8957     0.1495	C.2	1	noname	-0.0466
19	C15     2.3199    -3.2190     1.7688	C.3	1	noname	-0.0160
20	C16     1.2244     0.0811     3.9345	C.3	1	noname	-0.0340
21	H1     0.4000    -3.6232     0.1183	H	1	noname	0.0505
22	H2     0.6343    -3.3385    -2.0737	H	1	noname	0.0334
23	H3     1.8116    -2.0564    -1.9174	H	1	noname	0.0334
24	H4     1.5340    -0.1171     1.2318	H	1	noname	0.0615
25	H5     2.7233    -3.3885    -0.2279	H	1	noname	0.1223
26	H6    -1.7270     0.1775     1.9678	H	1	noname	0.0626
27	H7    -0.0201    -1.3101    -4.1559	H	1	noname	0.0792
28	H8    -1.7719     0.4600    -3.9715	H	1	noname	0.1522
29	H9    -3.6077     1.2355    -1.9152	H	1	noname	0.0642
30	H10    -3.4887     1.4763     0.6423	H	1	noname	0.0623
31	H11     3.3651    -3.3012     2.0670	H	1	noname	0.0391
32	H12     1.8073    -2.5203     2.4298	H	1	noname	0.0391
33	H13     1.8449    -4.1978     1.8359	H	1	noname	0.0391
34	H14     0.5146     0.7497     4.4216	H	1	noname	0.0281
35	H15     1.6604    -0.5885     4.6758	H	1	noname	0.0281
36	H16     2.0143     0.6685     3.4662	H	1	noname	0.0281
@<TRIPOS>BOND
1	5	1	1
2	1	16	1
3	2	16	2
4	6	3	1
5	3	19	1
6	3	25	1
7	4	12	1
8	4	14	1
9	4	28	1
10	5	6	1
11	5	8	1
12	5	11	1
13	6	7	1
14	6	21	1
15	7	10	1
16	7	22	1
17	7	23	1
18	8	9	2
19	8	13	1
20	9	10	1
21	9	12	1
22	10	14	2
23	11	15	2
24	11	24	1
25	12	17	2
26	13	18	2
27	13	26	1
28	14	27	1
29	15	16	1
30	15	20	1
31	17	18	1
32	17	29	1
33	18	30	1
34	19	31	1
35	19	32	1
36	19	33	1
37	20	34	1
38	20	35	1
39	20	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1