@<TRIPOS>MOLECULE
72941627
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.7691    -1.5783    -0.0673	O.2	1	noname	-0.2861
2	O2    -3.8322    -5.6248    -1.5775	O.2	1	noname	-0.2826
3	N1    -0.6926     2.0006    -0.3720	N.3	1	noname	-0.1455
4	N2    -1.4776    -3.3209    -0.8191	N.2	1	noname	-0.2391
5	N3    -2.6068    -3.8291    -1.0234	N.3	1	noname	0.0663
6	N4    -1.6028    -5.8652    -1.5066	N.3	1	noname	-0.0726
7	C1     1.1823     0.6840     0.1113	C.3	1	noname	-0.0130
8	C2     0.6767     2.1377    -0.0175	C.3	1	noname	0.0069
9	C3     0.0019    -0.0798    -0.1724	C.2	1	noname	-0.0197
10	C4    -1.0637     0.7428    -0.3637	C.2	1	noname	-0.0755
11	C5    -0.1054    -1.4250    -0.2293	C.2	1	noname	0.0229
12	C6    -2.3300     0.2882    -0.4434	C.2	1	noname	0.0460
13	C7    -0.9024     2.5441    -1.6561	C.3	1	noname	-0.0084
14	C8    -1.3817    -2.0940    -0.4855	C.2	1	noname	0.0695
15	C9    -2.6211    -1.1457    -0.3072	C.2	1	noname	0.1053
16	C10    -2.7076    -5.1185    -1.3740	C.2	1	noname	0.0024
17	H1     1.4970     0.4984     1.1382	H	1	noname	0.0330
18	H2     1.9739     0.4008    -0.5824	H	1	noname	0.0330
19	H3     0.7537     2.6361     0.9488	H	1	noname	0.0438
20	H4     1.2013     2.6693    -0.8115	H	1	noname	0.0438
21	H5     0.7055    -1.9763    -0.0934	H	1	noname	0.0650
22	H6    -3.0714     0.9265    -0.5952	H	1	noname	0.0681
23	H7    -1.9527     2.4389    -1.9280	H	1	noname	0.0398
24	H8    -0.6320     3.6000    -1.6523	H	1	noname	0.0398
25	H9    -0.2846     2.0134    -2.3806	H	1	noname	0.0398
26	H10    -3.4065    -3.2887    -0.9274	H	1	noname	0.1604
27	H11    -0.7301    -5.4723    -1.3487	H	1	noname	0.1285
28	H12    -1.6758    -6.7985    -1.7605	H	1	noname	0.1285
@<TRIPOS>BOND
1	1	15	2
2	2	16	2
3	3	8	1
4	3	10	1
5	3	13	1
6	4	5	1
7	4	14	2
8	5	16	1
9	5	26	1
10	6	16	1
11	6	27	1
12	6	28	1
13	7	8	1
14	7	9	1
15	7	17	1
16	7	18	1
17	8	19	1
18	8	20	1
19	9	10	1
20	9	11	2
21	10	12	2
22	11	14	1
23	11	21	1
24	12	15	1
25	12	22	1
26	13	23	1
27	13	24	1
28	13	25	1
29	14	15	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1