@<TRIPOS>MOLECULE
72941554
39 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.3455    -1.1321     1.0999	O.2	1	noname	-0.2986
2	O2     3.3785    -5.7994    -5.7080	O.2	1	noname	-0.2986
3	N1     2.5781    -1.9798    -1.5165	N.3	1	noname	-0.1615
4	N2     1.8126    -4.1681    -4.2551	N.3	1	noname	-0.1634
5	C1     2.9256    -2.8905    -2.5382	C.3	1	noname	0.0208
6	C2     1.6006    -3.4749    -3.0737	C.3	1	noname	0.0150
7	C3     3.8062    -4.0116    -1.9630	C.3	1	noname	-0.0482
8	C4     1.8668    -0.8806    -1.7521	C.2	1	noname	-0.0993
9	C5     0.8433    -4.4558    -5.0592	C.2	1	noname	-0.1000
10	C6     1.3260    -0.1034    -0.8209	C.2	1	noname	0.0109
11	C7     1.0465    -5.2635    -6.0997	C.2	1	noname	0.0107
12	C8     1.4775    -0.3724     0.6183	C.2	1	noname	0.0731
13	C9     0.5230     0.8966    -1.2799	C.2	1	noname	-0.0234
14	C10     2.3421    -5.9411    -6.3922	C.2	1	noname	0.0731
15	C11    -0.0739    -5.5046    -6.8391	C.2	1	noname	-0.0235
16	C12     0.4931     0.3538     1.4174	C.2	1	noname	0.0250
17	C13    -0.3142     1.5564    -0.4579	C.2	1	noname	-0.0483
18	C14     2.2511    -6.7910    -7.5770	C.2	1	noname	0.0250
19	C15    -0.0251    -6.3420    -7.8939	C.2	1	noname	-0.0483
20	C16    -0.3513     1.2523     0.8726	C.2	1	noname	-0.0332
21	C17     1.1189    -6.9557    -8.2656	C.2	1	noname	-0.0332
22	H1     3.4944    -2.3590    -3.3117	H	1	noname	0.0478
23	H2     0.8914    -2.6660    -3.2494	H	1	noname	0.0447
24	H3     1.1297    -4.1151    -2.3278	H	1	noname	0.0447
25	H4     4.0700    -4.7100    -2.7571	H	1	noname	0.0247
26	H5     3.2586    -4.5393    -1.1821	H	1	noname	0.0247
27	H6     4.7143    -3.5803    -1.5419	H	1	noname	0.0247
28	H7     2.1888    -2.4632    -0.7711	H	1	noname	0.1279
29	H8     2.3294    -4.9683    -4.0721	H	1	noname	0.1276
30	H9     1.7296    -0.6211    -2.6976	H	1	noname	0.0757
31	H10    -0.0563    -4.0739    -4.9015	H	1	noname	0.0756
32	H11     0.5559     1.1433    -2.2381	H	1	noname	0.0630
33	H12    -0.9268    -5.0626    -6.5999	H	1	noname	0.0630
34	H13     0.4446     0.1803     2.3909	H	1	noname	0.0663
35	H14    -0.9047     2.2641    -0.8192	H	1	noname	0.0622
36	H15     3.0644    -7.2656    -7.8827	H	1	noname	0.0663
37	H16    -0.8519    -6.5122    -8.4112	H	1	noname	0.0622
38	H17    -1.0153     1.7033     1.4521	H	1	noname	0.0624
39	H18     1.1183    -7.5396    -9.0651	H	1	noname	0.0624
@<TRIPOS>BOND
1	1	12	2
2	2	14	2
3	5	3	1
4	3	8	1
5	3	28	1
6	4	6	1
7	4	9	1
8	4	29	1
9	5	6	1
10	5	7	1
11	5	22	1
12	6	23	1
13	6	24	1
14	7	25	1
15	7	26	1
16	7	27	1
17	8	10	2
18	8	30	1
19	9	11	2
20	9	31	1
21	10	12	1
22	10	13	1
23	11	14	1
24	11	15	1
25	12	16	1
26	13	17	2
27	13	32	1
28	14	18	1
29	15	19	2
30	15	33	1
31	16	20	2
32	16	34	1
33	17	20	1
34	17	35	1
35	18	21	2
36	18	36	1
37	19	21	1
38	19	37	1
39	20	38	1
40	21	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1