@<TRIPOS>MOLECULE
72710759
39 44 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     3.2943     3.6175     0.2179	O.3	1	noname	0.0000
2	O2     2.1854     5.7267     0.3258	O.3	1	noname	0.0000
3	O3    -0.3441    -5.1262     0.4795	O.3	1	noname	0.0000
4	O4    -2.7375    -5.2060     0.4301	O.3	1	noname	0.0000
5	N1     1.2443    -0.0627     0.0216	N.2	1	noname	0.0000
6	C1    -0.1036    -0.1859     0.1847	C.2	1	noname	0.0000
7	C2    -0.8881     1.0253     0.2156	C.2	1	noname	0.0000
8	C3    -0.2160     2.2760     0.2450	C.2	1	noname	0.0000
9	C4    -0.8392    -1.4433     0.2738	C.2	1	noname	0.0000
10	C5     1.1978     2.2828     0.2134	C.2	1	noname	0.0000
11	C6    -2.2687    -1.4852     0.2125	C.2	1	noname	0.0000
12	C7     1.8806     1.1085     0.1408	C.2	1	noname	0.0000
13	C8    -2.3056     0.9462     0.2415	C.2	1	noname	0.0000
14	C9     1.9485     3.4830     0.2448	C.2	1	noname	0.0000
15	C10    -2.9889    -0.2711     0.2006	C.2	1	noname	0.0000
16	C11    -0.2187    -2.7069     0.4393	C.2	1	noname	0.0000
17	C12    -0.8294     3.5654     0.3295	C.2	1	noname	0.0000
18	C13     1.3207     4.6998     0.3135	C.2	1	noname	0.0000
19	C14    -2.9894    -2.7229     0.2011	C.2	1	noname	0.0000
20	C15    -0.9112    -3.9145     0.3987	C.2	1	noname	0.0000
21	C16    -2.2777    -3.9438     0.3088	C.2	1	noname	0.0000
22	C17     2.1372    -1.0664    -0.4182	C.3	1	noname	0.0000
23	C18    -0.0770     4.7616     0.3617	C.2	1	noname	0.0000
24	C19     3.4465     5.0412     0.2599	C.3	1	noname	0.0000
25	C20    -1.5056    -5.9641     0.5109	C.3	1	noname	0.0000
26	H1     2.8824     1.2127     0.1295	H	1	noname	0.0000
27	H2    -2.9091     1.7832     0.3148	H	1	noname	0.0000
28	H3    -4.0122    -0.2630     0.2136	H	1	noname	0.0000
29	H4     0.7624    -2.8207     0.6383	H	1	noname	0.0000
30	H5    -1.8393     3.6799     0.3740	H	1	noname	0.0000
31	H6    -4.0179    -2.7409     0.1797	H	1	noname	0.0000
32	H7     1.7160    -1.7228    -1.1681	H	1	noname	0.0000
33	H8     2.4696    -1.6565     0.4359	H	1	noname	0.0000
34	H9     3.0435    -0.5816    -0.7811	H	1	noname	0.0000
35	H10    -0.5378     5.6653     0.4167	H	1	noname	0.0000
36	H11     3.9954     5.3740    -0.6210	H	1	noname	0.0000
37	H12     4.0751     5.3277     1.1029	H	1	noname	0.0000
38	H13    -1.5023    -6.5555     1.4265	H	1	noname	0.0000
39	H14    -1.4620    -6.6983    -0.2936	H	1	noname	0.0000
@<TRIPOS>BOND
1	1	14	1
2	1	24	1
3	2	18	1
4	2	24	1
5	3	20	1
6	3	25	1
7	4	21	1
8	4	25	1
9	5	6	2
10	5	12	1
11	5	22	1
12	6	7	1
13	6	9	1
14	7	8	2
15	7	13	1
16	8	10	1
17	8	17	1
18	9	11	1
19	9	16	2
20	10	12	2
21	10	14	1
22	11	15	1
23	11	19	2
24	12	26	1
25	13	15	2
26	13	27	1
27	14	18	2
28	15	28	1
29	16	20	1
30	16	29	1
31	17	23	2
32	17	30	1
33	18	23	1
34	19	21	1
35	19	31	1
36	20	21	2
37	22	32	1
38	22	33	1
39	22	34	1
40	23	35	1
41	24	36	1
42	24	37	1
43	25	38	1
44	25	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1