@<TRIPOS>MOLECULE
DB02416
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1     2.7016    -1.5383    -1.6029	I	1	noname	-0.0584
2	C1     1.4473    -0.3136    -0.4286	C.3	1	noname	0.1046
3	N1     1.3157     0.9545    -1.1694	N.3	1	noname	-0.1903
4	C2     0.0632    -0.7719    -0.3030	C.2	1	noname	0.0125
5	N2    -0.0088     1.2356    -1.1090	N.3	1	noname	-0.0603
6	C3    -0.5351    -1.8478     0.3814	C.2	1	noname	0.0526
7	C4    -0.7899     0.1922    -0.8217	C.2	1	noname	0.0599
8	C5    -0.5080     2.5442    -0.9368	C.3	1	noname	0.1581
9	N3    -1.9064    -1.8756     0.4451	N.2	1	noname	-0.2621
10	N4     0.2065    -2.8086     0.9494	N.3	1	noname	-0.1119
11	N5    -2.1580     0.0995    -0.8015	N.2	1	noname	-0.2566
12	O1     0.2625     3.5294    -1.5963	O.3	1	noname	-0.3500
13	C6    -0.4350     2.8568     0.5716	C.3	1	noname	0.1238
14	C7    -2.7331    -0.9551    -0.1524	C.2	1	noname	0.0523
15	C8    -0.2652     4.6700    -0.9168	C.3	1	noname	0.1115
16	O2    -1.6050     2.3707     1.2129	O.3	1	noname	-0.3860
17	C9    -0.4476     4.3652     0.5784	C.3	1	noname	0.1124
18	C10     0.6928     5.8513    -1.0833	C.3	1	noname	0.0722
19	O3    -1.7218     4.8260     1.0034	O.3	1	noname	-0.3873
20	O4     0.8413     6.1494    -2.4637	O.3	1	noname	-0.3934
21	H1     1.6007    -0.0700     0.6227	H	1	noname	0.0646
22	H2     2.0068     1.5263    -1.6337	H	1	noname	0.1436
23	H3    -1.4813     2.5520    -1.4274	H	1	noname	0.0825
24	H4    -0.2064    -3.7051     1.1634	H	1	noname	0.1258
25	H5     1.1784    -2.6362     1.1634	H	1	noname	0.1258
26	H6     0.3800     2.3961     1.1299	H	1	noname	0.0671
27	H7    -3.8174    -1.0589    -0.1124	H	1	noname	0.1062
28	H8    -1.2252     4.8647    -1.3950	H	1	noname	0.0656
29	H9    -1.4911     2.4180     2.1649	H	1	noname	0.2107
30	H10     0.2459     4.8427     1.2707	H	1	noname	0.0657
31	H11     0.2230     6.7315    -0.6446	H	1	noname	0.0591
32	H12     1.6801     5.5354    -0.7463	H	1	noname	0.0591
33	H13    -1.7542     4.8377     1.9628	H	1	noname	0.2106
34	H14     0.8950     5.3316    -2.9637	H	1	noname	0.2101
@<TRIPOS>BOND
1	2	1	1
2	2	3	1
3	2	4	1
4	3	5	1
5	4	6	2
6	4	7	1
7	8	5	1
8	5	7	1
9	6	9	1
10	6	10	1
11	7	11	2
12	8	12	1
13	8	13	1
14	9	14	2
15	11	14	1
16	12	15	1
17	13	16	1
18	13	17	1
19	15	18	1
20	15	17	1
21	17	19	1
22	18	20	1
23	2	21	1
24	3	22	1
25	8	23	1
26	10	24	1
27	10	25	1
28	13	26	1
29	14	27	1
30	15	28	1
31	16	29	1
32	17	30	1
33	18	31	1
34	18	32	1
35	19	33	1
36	20	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1