@<TRIPOS>MOLECULE
71586836
27 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -4.2496     1.2410     0.0417	O.3	1	noname	-0.2452
2	O2    -3.9878    -1.0618     0.6284	O.3	1	noname	-0.2460
3	N1     1.9855     0.1057     0.4264	N.3	1	noname	-0.3017
4	C1     0.5733     1.9965    -0.5596	C.3	1	noname	0.0156
5	C2    -0.5882     1.1029    -0.2494	C.2	1	noname	-0.0471
6	C3     1.9608     1.2922    -0.4741	C.3	1	noname	0.0023
7	C4    -0.4342    -0.2862     0.1164	C.2	1	noname	-0.0496
8	C5     0.9244    -0.9022     0.1453	C.3	1	noname	0.0235
9	C6    -1.8743     1.7029    -0.3039	C.2	1	noname	-0.0178
10	C7    -1.5476    -1.1064     0.4376	C.2	1	noname	-0.0110
11	C8    -2.9622     0.8650     0.0206	C.2	1	noname	0.0299
12	C9    -2.8075    -0.4751     0.3718	C.2	1	noname	0.0255
13	C10     3.2977    -0.5348     0.3528	C.3	1	noname	-0.0130
14	C11    -4.9129     0.0228     0.4265	C.3	1	noname	0.1587
15	H1     0.4451     2.4275    -1.5525	H	1	noname	0.0329
16	H2     0.5147     2.8289     0.1416	H	1	noname	0.0329
17	H3     2.2803     0.9966    -1.4735	H	1	noname	0.0434
18	H4     2.7376     1.9964    -0.1764	H	1	noname	0.0434
19	H5     0.9535    -1.6822     0.9062	H	1	noname	0.0481
20	H6     1.0952    -1.4217    -0.7975	H	1	noname	0.0481
21	H7    -2.0038     2.6812    -0.5622	H	1	noname	0.0654
22	H8    -1.4435    -2.0869     0.6986	H	1	noname	0.0654
23	H9     3.3158    -1.4029     1.0117	H	1	noname	0.0394
24	H10     3.4900    -0.8524    -0.6720	H	1	noname	0.0394
25	H11     4.0656     0.1735     0.6638	H	1	noname	0.0394
26	H12    -5.6365    -0.2548    -0.3400	H	1	noname	0.0892
27	H13    -5.5076     0.1843     1.3256	H	1	noname	0.0892
@<TRIPOS>BOND
1	1	11	1
2	1	14	1
3	2	12	1
4	2	14	1
5	3	6	1
6	3	8	1
7	3	13	1
8	4	5	1
9	4	6	1
10	4	15	1
11	4	16	1
12	5	7	1
13	5	9	2
14	6	17	1
15	6	18	1
16	7	8	1
17	7	10	2
18	8	19	1
19	8	20	1
20	9	11	1
21	9	21	1
22	10	12	1
23	10	22	1
24	11	12	2
25	13	23	1
26	13	24	1
27	13	25	1
28	14	26	1
29	14	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1