@<TRIPOS>MOLECULE
71587655
40 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.8630    -0.3301     0.2231	O.3	1	noname	0.0000
2	O2     5.5378    -3.8747     0.0650	O.2	1	noname	0.0000
3	N1    -4.8777     1.8775     0.2039	N.3	1	noname	0.0000
4	N2     3.6434    -2.6736     0.1057	N.3	1	noname	0.0000
5	C1    -3.4281     2.0505     0.2814	C.3	1	noname	0.0000
6	C2    -2.7451     0.6856     0.1741	C.3	1	noname	0.0000
7	C3    -5.5303     3.1817     0.3065	C.3	1	noname	0.0000
8	C4    -5.3256     1.0209     1.3008	C.3	1	noname	0.0000
9	C5    -5.2269     1.2569    -1.0729	C.3	1	noname	0.0000
10	C6    -1.2280     0.8667     0.2552	C.3	1	noname	0.0000
11	C7    -0.5450    -0.4982     0.1479	C.3	1	noname	0.0000
12	C8     1.4969    -1.5968     0.1235	C.3	1	noname	0.0000
13	C9     3.0140    -1.4158     0.2046	C.3	1	noname	0.0000
14	C10     4.9798    -2.7596     0.1527	C.2	1	noname	0.0000
15	C11     5.7842    -1.5509     0.3063	C.3	1	noname	0.0000
16	H1    -3.0942     2.6892    -0.5364	H	1	noname	0.0000
17	H2    -3.1677     2.5133     1.2334	H	1	noname	0.0000
18	H3    -3.0054     0.2229    -0.7779	H	1	noname	0.0000
19	H4    -3.0790     0.0470     0.9919	H	1	noname	0.0000
20	H5    -6.3077     1.1279    -1.1306	H	1	noname	0.0000
21	H6    -4.7403     0.2845    -1.1493	H	1	noname	0.0000
22	H7    -4.8930     1.8955    -1.8907	H	1	noname	0.0000
23	H8    -6.4064     0.8919     1.2430	H	1	noname	0.0000
24	H9    -4.8390     0.0485     1.2244	H	1	noname	0.0000
25	H10    -5.0652     1.4836     2.2528	H	1	noname	0.0000
26	H11    -6.6111     3.0527     0.2487	H	1	noname	0.0000
27	H12    -5.1965     3.8204    -0.5113	H	1	noname	0.0000
28	H13    -5.2700     3.6444     1.2584	H	1	noname	0.0000
29	H14    -0.8941     1.5054    -0.5626	H	1	noname	0.0000
30	H15    -0.9677     1.3294     1.2071	H	1	noname	0.0000
31	H16    -0.8053    -0.9609    -0.8041	H	1	noname	0.0000
32	H17    -0.8789    -1.1368     0.9656	H	1	noname	0.0000
33	H18     1.2366    -2.0596    -0.8284	H	1	noname	0.0000
34	H19     1.1630    -2.2355     0.9413	H	1	noname	0.0000
35	H20     3.3479    -0.7771    -0.6132	H	1	noname	0.0000
36	H21     3.2743    -0.9530     1.1565	H	1	noname	0.0000
37	H22     3.1090    -3.4767     0.0036	H	1	noname	0.0000
38	H23     6.4494    -1.4458    -0.5507	H	1	noname	0.0000
39	H24     5.1277    -0.6827     0.3653	H	1	noname	0.0000
40	H25     6.3759    -1.6217     1.2190	H	1	noname	0.0000
@<TRIPOS>BOND
1	1	11	1
2	1	12	1
3	2	14	2
4	3	5	1
5	3	7	1
6	3	8	1
7	3	9	1
8	4	13	1
9	4	14	1
10	4	37	1
11	5	6	1
12	5	16	1
13	5	17	1
14	6	10	1
15	6	18	1
16	6	19	1
17	7	26	1
18	7	27	1
19	7	28	1
20	8	23	1
21	8	24	1
22	8	25	1
23	9	20	1
24	9	21	1
25	9	22	1
26	10	11	1
27	10	29	1
28	10	30	1
29	11	31	1
30	11	32	1
31	12	13	1
32	12	33	1
33	12	34	1
34	13	35	1
35	13	36	1
36	14	15	1
37	15	38	1
38	15	39	1
39	15	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1