@<TRIPOS>MOLECULE
118984447
26 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -0.2559    -4.2678     1.1972	O.3	1	noname	-0.3643
2	N1     2.0468     1.1533     0.1722	N.2	1	noname	-0.2543
3	C1    -1.5192    -4.1888     0.5097	C.3	1	noname	0.0892
4	C2    -0.1827    -3.9666    -0.2032	C.3	1	noname	0.1096
5	C3    -2.3452    -2.9175     0.9275	C.3	1	noname	-0.0197
6	C4     0.2360    -2.5558    -0.3407	C.2	1	noname	-0.0400
7	C5    -2.0988    -1.6883    -0.0005	C.3	1	noname	0.0150
8	C6    -0.6332    -1.4270    -0.1332	C.2	1	noname	-0.0235
9	C7    -0.0259    -0.1362     0.0005	C.2	1	noname	0.0008
10	C8     1.6274    -2.4157    -0.5099	C.2	1	noname	-0.0399
11	C9     1.4174    -0.0416    -0.0498	C.2	1	noname	0.0293
12	C10     2.2261    -1.1574    -0.3610	C.2	1	noname	-0.0177
13	C11    -0.7377     1.0987     0.1645	C.2	1	noname	-0.0315
14	C12    -0.0579     2.3295     0.3166	C.2	1	noname	-0.0378
15	C13     1.3573     2.3264     0.3472	C.2	1	noname	-0.0076
16	H1    -1.9344    -5.1882     0.6400	H	1	noname	0.0634
17	H2     0.5331    -4.7418    -0.4769	H	1	noname	0.0682
18	H3    -3.4077    -3.1606     0.9341	H	1	noname	0.0297
19	H4    -1.9914    -2.6318     1.9181	H	1	noname	0.0297
20	H5    -2.5876    -0.8104     0.4218	H	1	noname	0.0317
21	H6    -2.4850    -1.9755    -0.9785	H	1	noname	0.0317
22	H7     2.1984    -3.2289    -0.7404	H	1	noname	0.0627
23	H8     3.2337    -1.0485    -0.4759	H	1	noname	0.0645
24	H9    -1.7576     1.0887     0.1715	H	1	noname	0.0630
25	H10    -0.5776     3.2029     0.4027	H	1	noname	0.0638
26	H11     1.8652     3.1977     0.4995	H	1	noname	0.0839
@<TRIPOS>BOND
1	3	1	1
2	4	1	1
3	2	11	1
4	2	15	2
5	3	4	1
6	3	5	1
7	3	16	1
8	4	6	1
9	4	17	1
10	5	7	1
11	5	18	1
12	5	19	1
13	6	8	2
14	6	10	1
15	7	8	1
16	7	20	1
17	7	21	1
18	8	9	1
19	9	11	2
20	9	13	1
21	10	12	2
22	10	22	1
23	11	12	1
24	12	23	1
25	13	14	2
26	13	24	1
27	14	15	1
28	14	25	1
29	15	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1