@<TRIPOS>MOLECULE
DB07112
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1     2.4703    -1.7832     0.1593	I	1	noname	-0.0435
2	C1     1.4176    -0.0262     0.0737	C.2	1	noname	0.0027
3	C2     0.0017    -0.0218     0.0323	C.2	1	noname	0.0256
4	C3     2.0845     1.2317     0.0537	C.2	1	noname	-0.0170
5	C4    -0.7501     1.2230    -0.0286	C.2	1	noname	-0.0056
6	C5    -0.6794    -1.2619     0.0513	C.2	1	noname	0.0104
7	C6     1.3561     2.4653    -0.0062	C.2	1	noname	-0.0418
8	C7    -2.1691     1.2276    -0.0700	C.2	1	noname	0.0705
9	C8    -0.0729     2.4770    -0.0481	C.2	1	noname	-0.0198
10	N1    -2.0489    -1.2095     0.0098	N.2	1	noname	-0.2113
11	O1    -2.8809     2.3733    -0.1266	O.3	1	noname	-0.2674
12	C9    -2.7934    -0.0476    -0.0482	C.2	1	noname	0.0678
13	C10    -4.1805    -0.1281    -0.0861	C.2	1	noname	0.0519
14	O2    -4.7425    -1.2445    -0.0675	O.2	1	noname	-0.2822
15	N2    -4.9153     0.9910    -0.1425	N.3	1	noname	-0.0594
16	C11    -6.3224     0.9093    -0.1809	C.3	1	noname	0.0891
17	C12    -6.8866     2.2547    -0.2395	C.2	1	noname	0.1423
18	O3    -7.6543     2.6503     0.6641	O.2	1	noname	-0.2506
19	O4    -6.5791     3.0713    -1.2695	O.3	1	noname	-0.2148
20	H1     3.1739     1.2508     0.0848	H	1	noname	0.0633
21	H2    -0.1676    -2.2232     0.0963	H	1	noname	0.0846
22	H3     1.8981     3.4108    -0.0200	H	1	noname	0.0623
23	H4    -0.6290     3.4133    -0.0936	H	1	noname	0.0630
24	H5    -3.0697     2.6771     0.7643	H	1	noname	0.2183
25	H6    -4.4220     1.8722    -0.1558	H	1	noname	0.1320
26	H7    -6.5722     0.4106    -1.1174	H	1	noname	0.0541
27	H8    -6.6271     0.4697     0.7688	H	1	noname	0.0541
28	H9    -6.3496     2.5442    -2.0383	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	2	4	2
4	3	5	1
5	3	6	2
6	4	7	1
7	5	8	2
8	5	9	1
9	6	10	1
10	7	9	2
11	8	11	1
12	8	12	1
13	10	12	2
14	12	13	1
15	13	14	2
16	13	15	1
17	15	16	1
18	16	17	1
19	17	18	2
20	17	19	1
21	4	20	1
22	6	21	1
23	7	22	1
24	9	23	1
25	11	24	1
26	15	25	1
27	16	26	1
28	16	27	1
29	19	28	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1