@<TRIPOS>MOLECULE
71587162
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.2997     2.2342    -0.6555	O.2	1	noname	-0.2623
2	O2    -0.7146     4.1140     0.7112	O.2	1	noname	-0.2901
3	N1     1.0967    -0.0652    -0.3148	N.3	1	noname	-0.0088
4	N2    -0.1766     0.2394    -0.4049	N.3	1	noname	-0.1591
5	N3     1.3356     3.3829    -0.1539	N.3	1	noname	0.0437
6	N4     2.4573     7.5480    -0.1666	N.2	1	noname	-0.2404
7	C1     1.8838     1.0239    -0.2717	C.2	1	noname	-0.0357
8	C2     1.0146     2.0973    -0.3146	C.2	1	noname	0.0250
9	C3    -0.2545     1.5729    -0.4751	C.2	1	noname	0.1127
10	C4    -1.2753    -0.6098    -0.4384	C.2	1	noname	-0.0126
11	C5     1.5848    -1.3872    -0.2683	C.3	1	noname	0.0077
12	C6     3.3413     1.0639    -0.1959	C.3	1	noname	-0.0263
13	C7    -1.0916    -1.8825    -1.0750	C.2	1	noname	-0.0292
14	C8    -2.5874    -0.2686     0.1045	C.2	1	noname	-0.0292
15	C9     0.4347     4.3979     0.3099	C.2	1	noname	0.0463
16	C10    -2.1777    -2.8023    -1.1907	C.2	1	noname	-0.0517
17	C11    -3.6735    -1.1919    -0.0080	C.2	1	noname	-0.0517
18	C12    -3.4517    -2.4457    -0.6556	C.2	1	noname	-0.0604
19	C13     0.9141     5.7724     0.2940	C.2	1	noname	0.0230
20	C14     0.0213     6.7322     0.8537	C.2	1	noname	0.0016
21	C15     2.1740     6.2024    -0.2368	C.2	1	noname	0.0388
22	C16     0.3453     8.1106     0.9111	C.2	1	noname	-0.0118
23	C17     1.6045     8.4896     0.3788	C.2	1	noname	0.0116
24	H1     2.1306    -1.5404     0.6627	H	1	noname	0.0413
25	H2     0.7491    -2.0851    -0.3186	H	1	noname	0.0413
26	H3     2.2522    -1.5580    -1.1130	H	1	noname	0.0413
27	H4     3.6438     1.5857     0.7120	H	1	noname	0.0291
28	H5     3.7322     0.0466    -0.1777	H	1	noname	0.0291
29	H6     3.7361     1.5893    -1.0655	H	1	noname	0.0291
30	H7     2.2436     3.6500    -0.3662	H	1	noname	0.1376
31	H8    -0.1761    -2.1327    -1.4486	H	1	noname	0.0639
32	H9    -2.7294     0.6304     0.5650	H	1	noname	0.0639
33	H10    -2.0446    -3.7032    -1.6501	H	1	noname	0.0623
34	H11    -4.5924    -0.9589     0.3683	H	1	noname	0.0623
35	H12    -4.2259    -3.1047    -0.7379	H	1	noname	0.0622
36	H13    -0.8760     6.4181     1.2234	H	1	noname	0.0631
37	H14     2.8320     5.5407    -0.6485	H	1	noname	0.0847
38	H15    -0.2942     8.7952     1.3145	H	1	noname	0.0639
39	H16     1.8844     9.4702     0.3987	H	1	noname	0.0839
@<TRIPOS>BOND
1	1	9	2
2	2	15	2
3	3	4	1
4	3	7	1
5	3	11	1
6	4	9	1
7	4	10	1
8	5	8	1
9	5	15	1
10	5	30	1
11	6	21	1
12	6	23	2
13	7	8	2
14	7	12	1
15	8	9	1
16	10	13	2
17	10	14	1
18	11	24	1
19	11	25	1
20	11	26	1
21	12	27	1
22	12	28	1
23	12	29	1
24	13	16	1
25	13	31	1
26	14	17	2
27	14	32	1
28	15	19	1
29	16	18	2
30	16	33	1
31	17	18	1
32	17	34	1
33	18	35	1
34	19	20	1
35	19	21	2
36	20	22	2
37	20	36	1
38	21	37	1
39	22	23	1
40	22	38	1
41	23	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1