@<TRIPOS>MOLECULE
50314356
35 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.8998    -1.4875    -0.0124	O.2	1	noname	-0.2792
2	C1     1.3192    -0.3923    -0.1738	C.2	1	noname	0.1082
3	C2     0.2049     0.2149     0.5223	C.2	1	noname	0.0287
4	C3     1.5415     0.6788    -1.1148	C.2	1	noname	0.0601
5	C4    -0.5117    -0.2648     1.6526	C.2	1	noname	0.0574
6	C5    -0.1335     1.4222    -0.1195	C.2	1	noname	0.0608
7	O2     0.6798     1.7066    -1.1417	O.3	1	noname	-0.1810
8	C6     2.6422     0.6793    -1.8826	C.2	1	noname	0.0294
9	O3    -0.1673    -1.4081     2.2825	O.3	1	noname	-0.2747
10	C7    -1.6165     0.5308     2.0842	C.2	1	noname	0.0003
11	C8    -1.2327     2.2213     0.2942	C.2	1	noname	0.0030
12	C9     3.1409     1.7286    -2.6277	C.2	1	noname	-0.0150
13	C10    -1.9741     1.7441     1.4141	C.2	1	noname	0.0353
14	C11     4.2359     1.6571    -3.4841	C.2	1	noname	-0.0021
15	C12     2.7852     3.0854    -2.6123	C.2	1	noname	-0.0967
16	O4    -3.0368     2.4519     1.8524	O.3	1	noname	-0.2805
17	C13     4.5115     2.9701    -3.8924	C.2	1	noname	0.0606
18	C14     5.0728     0.5889    -3.9092	C.2	1	noname	-0.0299
19	N1     3.6040     3.8094    -3.3988	N.3	1	noname	-0.0329
20	N2     5.6187     3.2492    -4.6430	N.2	1	noname	-0.2549
21	C15     6.1928     0.8894    -4.7368	C.2	1	noname	-0.0554
22	C16     3.5167     5.1938    -3.6514	C.3	1	noname	-0.0608
23	C17     6.4542     2.2515    -5.0889	C.2	1	noname	-0.0069
24	H1     3.1847    -0.2660    -1.9031	H	1	noname	0.0658
25	H2    -0.2075    -1.2747     3.2323	H	1	noname	0.2182
26	H3    -2.2004     0.2046     2.9449	H	1	noname	0.0677
27	H4    -1.4923     3.1476    -0.2182	H	1	noname	0.0678
28	H5     1.9627     3.5285    -2.0508	H	1	noname	0.0798
29	H6    -3.0441     2.4567     2.8123	H	1	noname	0.2181
30	H7     4.8607    -0.4368    -3.6074	H	1	noname	0.0630
31	H8     6.8400     0.0890    -5.0954	H	1	noname	0.0639
32	H9     3.4826     5.7343    -2.7055	H	1	noname	0.0436
33	H10     4.3882     5.5147    -4.2220	H	1	noname	0.0436
34	H11     2.6118     5.4026    -4.2220	H	1	noname	0.0436
35	H12     7.3055     2.5343    -5.7082	H	1	noname	0.0839
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	3	6	1
6	4	7	1
7	4	8	2
8	5	9	1
9	5	10	1
10	6	11	2
11	6	7	1
12	8	12	1
13	10	13	2
14	11	13	1
15	12	14	1
16	12	15	2
17	13	16	1
18	14	17	2
19	14	18	1
20	15	19	1
21	17	20	1
22	17	19	1
23	18	21	2
24	19	22	1
25	20	23	2
26	21	23	1
27	8	24	1
28	9	25	1
29	10	26	1
30	11	27	1
31	15	28	1
32	16	29	1
33	18	30	1
34	21	31	1
35	22	32	1
36	22	33	1
37	22	34	1
38	23	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1