@<TRIPOS>MOLECULE
72941437
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.4184     2.3862     0.5233	O.2	1	noname	-0.2713
2	N1     0.9890    -0.0067    -0.0556	N.3	1	noname	-0.0166
3	N2    -0.2819     0.3033     0.1865	N.3	1	noname	-0.1650
4	C1     1.7117     1.1518    -0.1464	C.2	1	noname	-0.0491
5	C2    -1.3790    -0.5572     0.3061	C.2	1	noname	-0.0127
6	C3    -0.4049     1.6573     0.3108	C.2	1	noname	0.1052
7	C4     0.8474     2.2050     0.1140	C.2	1	noname	0.0585
8	C5     1.6228    -1.3084    -0.0349	C.3	1	noname	0.0076
9	C6     3.1629     1.3860    -0.3916	C.3	1	noname	-0.0279
10	C7    -1.4782    -1.7374    -0.4827	C.2	1	noname	-0.0295
11	C8    -2.4355    -0.3075     1.2290	C.2	1	noname	-0.0295
12	C9    -2.4518    -2.7187    -0.2488	C.2	1	noname	-0.0517
13	C10    -3.5023    -1.2149     1.3708	C.2	1	noname	-0.0517
14	C11    -3.4935    -2.4295     0.6570	C.2	1	noname	-0.0607
15	H1     1.0697     3.2102     0.1599	H	1	noname	0.0689
16	H2     1.1562    -2.1081    -0.6366	H	1	noname	0.0413
17	H3     1.7288    -1.6446     0.9965	H	1	noname	0.0413
18	H4     2.6549    -1.1629    -0.3539	H	1	noname	0.0413
19	H5     3.4414     0.9621    -1.3564	H	1	noname	0.0290
20	H6     3.3627     2.4575    -0.3942	H	1	noname	0.0290
21	H7     3.7461     0.9096     0.3965	H	1	noname	0.0290
22	H8    -0.8638    -1.9077    -1.2729	H	1	noname	0.0639
23	H9    -2.4630     0.5477     1.8082	H	1	noname	0.0639
24	H10    -2.4106    -3.6102    -0.7415	H	1	noname	0.0623
25	H11    -4.2915    -0.9643     1.9860	H	1	noname	0.0623
26	H12    -4.2691    -3.0964     0.7556	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	6	2
2	2	3	1
3	2	4	1
4	2	8	1
5	3	5	1
6	3	6	1
7	4	7	2
8	4	9	1
9	5	10	2
10	5	11	1
11	6	7	1
12	7	15	1
13	8	16	1
14	8	17	1
15	8	18	1
16	9	19	1
17	9	20	1
18	9	21	1
19	10	12	1
20	10	22	1
21	11	13	2
22	11	23	1
23	12	14	2
24	12	24	1
25	13	14	1
26	13	25	1
27	14	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1