@<TRIPOS>MOLECULE
DB01435
26 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.0698    -1.0161    -0.0000	O.2	1	noname	-0.2713
2	C1     1.3411    -0.0004    -0.0000	C.2	1	noname	0.1052
3	N1     0.0016     0.0005    -0.0000	N.3	1	noname	-0.1650
4	C2     1.7838     1.3110     0.0000	C.2	1	noname	0.0585
5	N2    -0.3993     1.2297     0.0000	N.3	1	noname	-0.0166
6	C3    -0.7858    -1.0837    -0.0000	C.2	1	noname	-0.0127
7	C4     0.6331     2.0798     0.0000	C.2	1	noname	-0.0491
8	C5    -1.7531     1.6238    -0.0000	C.3	1	noname	0.0076
9	C6    -2.1682    -0.9387    -0.0000	C.2	1	noname	-0.0295
10	C7    -0.2202    -2.3534    -0.0000	C.2	1	noname	-0.0295
11	C8     0.5602     3.5380     0.0000	C.3	1	noname	-0.0279
12	C9    -2.9850    -2.0634    -0.0000	C.2	1	noname	-0.0517
13	C10    -1.0369    -3.4781    -0.0000	C.2	1	noname	-0.0517
14	C11    -2.4194    -3.3331    -0.0000	C.2	1	noname	-0.0607
15	H1     2.8156     1.6623    -0.0000	H	1	noname	0.0689
16	H2    -2.1019     1.7254     1.0277	H	1	noname	0.0413
17	H3    -1.8531     2.5799    -0.5138	H	1	noname	0.0413
18	H4    -2.3507     0.8709    -0.5138	H	1	noname	0.0413
19	H5    -2.6118     0.0569    -0.0000	H	1	noname	0.0639
20	H6     0.8639    -2.4671    -0.0000	H	1	noname	0.0639
21	H7     0.5420     3.9009     1.0277	H	1	noname	0.0290
22	H8     1.4309     3.9453    -0.5138	H	1	noname	0.0290
23	H9    -0.3468     3.8565    -0.5138	H	1	noname	0.0290
24	H10    -4.0691    -1.9497    -0.0000	H	1	noname	0.0623
25	H11    -0.5934    -4.4738    -0.0000	H	1	noname	0.0623
26	H12    -3.0599    -4.2151    -0.0000	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	5	8	1
8	5	7	1
9	6	9	2
10	6	10	1
11	7	11	1
12	9	12	1
13	10	13	2
14	12	14	2
15	13	14	1
16	4	15	1
17	8	16	1
18	8	17	1
19	8	18	1
20	9	19	1
21	10	20	1
22	11	21	1
23	11	22	1
24	11	23	1
25	12	24	1
26	13	25	1
27	14	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1