@<TRIPOS>MOLECULE
50159620
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.7063    -1.1609    -0.7658	O.2	1	noname	-0.2853
2	C1     1.9794     0.0270    -1.0433	C.2	1	noname	0.0786
3	N1     2.5300     0.3335    -2.2616	N.3	1	noname	0.0826
4	C2     1.7174     1.0534    -0.0937	C.2	1	noname	0.0737
5	C3     2.7924     1.6627    -2.6259	C.2	1	noname	0.0056
6	C4     2.8175    -0.7107    -3.1057	C.2	1	noname	-0.0494
7	C5     2.0588     2.3814    -0.4764	C.2	1	noname	-0.0209
8	N2     2.5477     2.6357    -1.7205	N.2	1	noname	-0.2195
9	C6     3.3111     1.9963    -3.9028	C.2	1	noname	-0.0146
10	C7     3.3551    -0.4660    -4.3896	C.2	1	noname	-0.0304
11	N3     1.9964     3.5106     0.2871	N.3	1	noname	-0.1063
12	C8     3.5986     0.8753    -4.7838	C.2	1	noname	-0.0149
13	C9     3.5651     3.3440    -4.3134	C.2	1	noname	-0.0288
14	C10     0.7621     4.2809     0.3737	C.3	1	noname	0.0281
15	C11     3.2526     4.0435     0.7981	C.3	1	noname	0.0281
16	C12     4.1527     1.1187    -6.0763	C.2	1	noname	-0.0418
17	C13     4.1071     3.5636    -5.6090	C.2	1	noname	-0.0530
18	C14     0.9822     5.8164     0.2897	C.3	1	noname	0.0599
19	C15     3.5321     5.4058     0.0887	C.3	1	noname	0.0599
20	C16     4.3998     2.4681    -6.4704	C.2	1	noname	-0.0498
21	O2     2.3217     6.2289    -0.1245	O.3	1	noname	-0.3786
22	H1     1.2770     0.8332     0.8787	H	1	noname	0.0709
23	H2     2.6207    -1.7253    -2.7595	H	1	noname	0.0761
24	H3     3.5773    -1.2946    -5.0620	H	1	noname	0.0639
25	H4     3.3505     4.1849    -3.6539	H	1	noname	0.0630
26	H5     0.1925     3.9900    -0.5089	H	1	noname	0.0459
27	H6     0.3722     4.0669     1.3689	H	1	noname	0.0459
28	H7     3.0840     4.2399     1.8569	H	1	noname	0.0459
29	H8     4.0230     3.3361     0.4910	H	1	noname	0.0459
30	H9     4.3823     0.2916    -6.7481	H	1	noname	0.0629
31	H10     4.3003     4.5823    -5.9452	H	1	noname	0.0622
32	H11     0.3295     6.1845    -0.5019	H	1	noname	0.0580
33	H12     0.8816     6.2041     1.3034	H	1	noname	0.0580
34	H13     4.1523     5.9932     0.7657	H	1	noname	0.0580
35	H14     3.8900     5.1724    -0.9141	H	1	noname	0.0580
36	H15     4.8231     2.6672    -7.4550	H	1	noname	0.0622
@<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	2
7	5	8	2
8	5	9	1
9	6	10	2
10	7	11	1
11	7	8	1
12	9	12	2
13	9	13	1
14	10	12	1
15	11	14	1
16	11	15	1
17	12	16	1
18	13	17	2
19	14	18	1
20	15	19	1
21	16	20	2
22	17	20	1
23	18	21	1
24	19	21	1
25	4	22	1
26	6	23	1
27	10	24	1
28	13	25	1
29	14	26	1
30	14	27	1
31	15	28	1
32	15	29	1
33	16	30	1
34	17	31	1
35	18	32	1
36	18	33	1
37	19	34	1
38	19	35	1
39	20	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1