@<TRIPOS>MOLECULE
56603535
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.6353    -0.9491     0.6346	O.2	1	noname	-0.2920
2	N1     0.9288    -3.3155    -0.1375	N.3	1	noname	-0.3104
3	C1    -0.1604    -2.5224     0.4232	C.3	1	noname	0.0678
4	C2    -0.7327    -1.2962    -0.1700	C.2	1	noname	0.0993
5	C3    -0.4918    -0.4979    -1.3622	C.2	1	noname	-0.0259
6	C4     0.4768    -0.6938    -2.4195	C.2	1	noname	-0.0159
7	C5    -1.2928    -3.4515     0.8653	C.3	1	noname	-0.0423
8	C6    -1.3421     0.6488    -1.5031	C.2	1	noname	-0.0200
9	C7     0.5634     0.2041    -3.5180	C.2	1	noname	-0.0548
10	C8     1.4701    -1.7804    -2.5322	C.3	1	noname	0.0066
11	C9    -1.2422     1.5229    -2.5930	C.2	1	noname	-0.0583
12	C10     1.2076    -4.4503     0.7410	C.3	1	noname	-0.0157
13	C11    -0.2936     1.2969    -3.5911	C.2	1	noname	-0.0421
14	H1     0.1961    -2.1827     1.3956	H	1	noname	0.0547
15	H2    -2.1063    -2.8591     1.2840	H	1	noname	0.0251
16	H3    -1.6578    -4.0138     0.0058	H	1	noname	0.0251
17	H4    -0.9209    -4.1435     1.6209	H	1	noname	0.0251
18	H5     1.7657    -2.7348    -0.2198	H	1	noname	0.1226
19	H6    -2.0622     0.8874    -0.8190	H	1	noname	0.0630
20	H7     1.2464     0.0935    -4.2938	H	1	noname	0.0625
21	H8     1.2939    -2.3400    -3.4508	H	1	noname	0.0280
22	H9     1.3763    -2.4486    -1.6761	H	1	noname	0.0280
23	H10     2.4734    -1.3549    -2.5527	H	1	noname	0.0280
24	H11    -1.8433     2.3266    -2.6851	H	1	noname	0.0622
25	H12     2.0212    -5.0427     0.3223	H	1	noname	0.0391
26	H13     0.3150    -5.0697     0.8289	H	1	noname	0.0391
27	H14     1.4946    -4.0847     1.7270	H	1	noname	0.0391
28	H15    -0.2302     1.9298    -4.3685	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	4	2
2	2	3	1
3	2	12	1
4	2	18	1
5	3	4	1
6	3	7	1
7	3	14	1
8	4	5	1
9	5	6	1
10	5	8	2
11	6	9	2
12	6	10	1
13	7	15	1
14	7	16	1
15	7	17	1
16	8	11	1
17	8	19	1
18	9	13	1
19	9	20	1
20	10	21	1
21	10	22	1
22	10	23	1
23	11	13	2
24	11	24	1
25	12	25	1
26	12	26	1
27	12	27	1
28	13	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1