@<TRIPOS>MOLECULE
DB04069
26 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	N1     1.4747     0.0916     0.1079	N.2	1	noname	-0.1851
2	N2     2.0192     1.2429    -0.2381	N.2	1	noname	-0.2098
3	C1     0.1347    -0.0604     0.3922	C.2	1	noname	0.0083
4	C2     1.3061     2.4025    -0.3127	C.2	1	noname	0.0493
5	C3    -0.4731    -1.3472     0.4740	C.2	1	noname	-0.0332
6	C4    -0.6609     1.1283     0.3601	C.2	1	noname	0.0002
7	N3     1.8959     3.5479    -0.6813	N.3	1	noname	-0.1097
8	C5    -0.0708     2.3679     0.0080	C.2	1	noname	-0.0185
9	C6    -1.9175    -1.4523     0.2984	C.2	1	noname	-0.0294
10	C7     0.3470    -2.5266     0.5665	C.2	1	noname	-0.0349
11	C8    -2.1180     1.1004     0.6212	C.3	1	noname	0.0221
12	C9    -2.5468    -2.7320     0.1715	C.2	1	noname	-0.0565
13	C10    -2.7931    -0.2390     0.1847	C.3	1	noname	0.0159
14	C11    -0.2798    -3.7797     0.3866	C.2	1	noname	-0.0609
15	C12    -1.6846    -3.8650     0.1893	C.2	1	noname	-0.0530
16	H1     2.8958     3.5791    -0.8202	H	1	noname	0.1258
17	H2     1.3405     4.3800    -0.8202	H	1	noname	0.1258
18	H3    -0.6666     3.2803    -0.0158	H	1	noname	0.0660
19	H4     1.4169    -2.4722     0.7678	H	1	noname	0.0629
20	H5    -2.2114     1.1658     1.7052	H	1	noname	0.0320
21	H6    -2.5325     1.8866    -0.0099	H	1	noname	0.0320
22	H7    -3.6266    -2.8381     0.0668	H	1	noname	0.0625
23	H8    -3.0026    -0.1451    -0.8809	H	1	noname	0.0319
24	H9    -3.6078    -0.4161     0.8868	H	1	noname	0.0319
25	H10     0.3245    -4.6868     0.4001	H	1	noname	0.0622
26	H11    -2.1240    -4.8519     0.0440	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	1	3	1
3	2	4	1
4	3	5	1
5	3	6	2
6	4	7	1
7	4	8	2
8	5	9	2
9	5	10	1
10	6	11	1
11	6	8	1
12	9	12	1
13	9	13	1
14	10	14	2
15	11	13	1
16	12	15	2
17	14	15	1
18	7	16	1
19	7	17	1
20	8	18	1
21	10	19	1
22	11	20	1
23	11	21	1
24	12	22	1
25	13	23	1
26	13	24	1
27	14	25	1
28	15	26	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1