@<TRIPOS>MOLECULE
DB07055
27 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.4906    -0.9840     0.2230	O.2	1	noname	-0.2864
2	C1     1.6311    -0.1296    -0.0831	C.2	1	noname	0.0627
3	N1     1.4970     0.6961    -1.2973	N.3	1	noname	0.0828
4	C2     0.4702     0.3418     0.6531	C.2	1	noname	0.0296
5	C3     0.3017     1.5486    -1.3951	C.2	1	noname	0.0627
6	C4     2.6138     0.8616    -2.2265	C.3	1	noname	0.0212
7	C5    -0.2589     1.3102    -0.0862	C.2	1	noname	0.0296
8	C6     0.0898    -0.0519     1.9610	C.2	1	noname	-0.0031
9	O2    -0.1071     2.2665    -2.3333	O.2	1	noname	-0.2864
10	C7     3.4742     2.1184    -1.9688	C.3	1	noname	0.0206
11	C8    -1.3993     1.9669     0.4577	C.2	1	noname	-0.0031
12	C9    -1.0622     0.5912     2.5128	C.2	1	noname	-0.0294
13	C10     4.8182     2.0545    -2.5661	C.2	1	noname	0.0470
14	C11    -1.7853     1.5857     1.7743	C.2	1	noname	-0.0294
15	N2     5.7027     3.0469    -2.4880	N.2	1	noname	-0.1141
16	N3     5.4049     1.0269    -3.2018	N.3	1	noname	0.0577
17	N4     6.7662     2.6232    -3.0744	N.2	1	noname	-0.0838
18	N5     6.5937     1.4204    -3.4983	N.2	1	noname	-0.1684
19	H1     3.2545    -0.0012    -2.0444	H	1	noname	0.0445
20	H2     2.1444     0.9959    -3.2010	H	1	noname	0.0445
21	H3     0.6515    -0.8066     2.5115	H	1	noname	0.0630
22	H4     2.9807     2.9464    -2.4777	H	1	noname	0.0360
23	H5     3.6475     2.1651    -0.8937	H	1	noname	0.0360
24	H6    -1.9483     2.7223    -0.1047	H	1	noname	0.0630
25	H7    -1.3950     0.3183     3.5142	H	1	noname	0.0622
26	H8    -2.6532     2.0656     2.2267	H	1	noname	0.0622
27	H9     5.0200     0.1186    -3.4186	H	1	noname	0.1787
@<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	4	8	1
8	5	9	2
9	5	7	1
10	6	10	1
11	7	11	1
12	8	12	2
13	10	13	1
14	11	14	2
15	12	14	1
16	13	15	2
17	13	16	1
18	15	17	1
19	16	18	1
20	17	18	2
21	6	19	1
22	6	20	1
23	8	21	1
24	10	22	1
25	10	23	1
26	11	24	1
27	12	25	1
28	14	26	1
29	16	27	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1