@<TRIPOS>MOLECULE
DB07293
28 28 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -3.6744    -1.1716    -0.6694	O.2	1	noname	-0.2527
2	C1    -3.1076    -2.1069    -1.2748	C.2	1	noname	0.0500
3	O2    -2.9541    -2.0487    -2.6147	O.3	1	noname	-0.1975
4	N1    -2.6524    -3.1673    -0.5936	N.3	1	noname	-0.0329
5	C2    -2.3102    -3.1113    -3.3024	C.3	1	noname	0.0828
6	C3    -2.2209    -3.0163     0.7402	C.3	1	noname	0.0635
7	C4    -2.2691    -2.8122    -4.7309	C.2	1	noname	-0.0434
8	C5    -1.7753    -4.3071     1.2567	C.2	1	noname	0.1407
9	C6    -3.3109    -3.2189    -5.5563	C.2	1	noname	-0.0497
10	C7    -1.1882    -2.1209    -5.2654	C.2	1	noname	-0.0497
11	O3    -0.5979    -4.4495     1.6516	O.2	1	noname	-0.2953
12	C8    -2.7049    -5.4316     1.3119	C.3	1	noname	-0.0043
13	C9    -3.2717    -2.9343    -6.9163	C.2	1	noname	-0.0585
14	C10    -1.1490    -1.8362    -6.6254	C.2	1	noname	-0.0585
15	C11    -2.1908    -2.2429    -7.4508	C.2	1	noname	-0.0611
16	H1    -2.6351    -4.0564    -1.0726	H	1	noname	0.1339
17	H2    -1.2804    -3.1269    -2.9456	H	1	noname	0.0625
18	H3    -2.9450    -3.9880    -3.1737	H	1	noname	0.0625
19	H4    -1.3502    -2.3615     0.7053	H	1	noname	0.0515
20	H5    -3.1009    -2.7228     1.3126	H	1	noname	0.0515
21	H6    -4.1585    -3.7611    -5.1372	H	1	noname	0.0626
22	H7    -0.3712    -1.8020    -4.6181	H	1	noname	0.0626
23	H8    -2.9114    -5.6814     2.3526	H	1	noname	0.0310
24	H9    -3.6345    -5.1593     0.8122	H	1	noname	0.0310
25	H10    -2.2626    -6.2934     0.8122	H	1	noname	0.0310
26	H11    -4.0887    -3.2532    -7.5636	H	1	noname	0.0622
27	H12    -0.3014    -1.2941    -7.0445	H	1	noname	0.0622
28	H13    -2.1601    -2.0197    -8.5173	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	1
6	5	7	1
7	6	8	1
8	7	9	2
9	7	10	1
10	8	11	2
11	8	12	1
12	9	13	1
13	10	14	2
14	13	15	2
15	14	15	1
16	4	16	1
17	5	17	1
18	5	18	1
19	6	19	1
20	6	20	1
21	9	21	1
22	10	22	1
23	12	23	1
24	12	24	1
25	12	25	1
26	13	26	1
27	14	27	1
28	15	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1