@<TRIPOS>MOLECULE
71749373
36 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1    -4.6326    -0.9831     3.2433	I	1	noname	-0.0413
2	I2     1.1824    -2.1541     3.8047	I	1	noname	-0.0413
3	I3    -2.5424    -6.4304     1.8493	I	1	noname	-0.0413
4	I4    -3.0105    -5.9177     7.7670	I	1	noname	-0.0413
5	O1    -0.5483    -1.5682    -1.5596	O.3	1	noname	-0.3861
6	O2    -1.8697    -1.8179     4.5024	O.3	1	noname	-0.1945
7	O3    -4.1356     1.6415    -1.1429	O.3	1	noname	-0.2132
8	O4    -2.3287     1.5912     0.2006	O.2	1	noname	-0.2486
9	O5    -2.9838    -7.1703     4.8780	O.3	1	noname	-0.2754
10	N1    -2.2050     0.3141    -2.8872	N.3	1	noname	-0.3170
11	C1    -1.0769    -0.4515    -0.8597	C.3	1	noname	0.1038
12	C2    -2.4124    -0.0433    -1.4848	C.3	1	noname	0.1217
13	C3    -1.2840    -0.8083     0.5408	C.2	1	noname	-0.0336
14	C4    -0.2077    -1.2148     1.3209	C.2	1	noname	-0.0099
15	C5    -2.5574    -0.7416     1.0940	C.2	1	noname	-0.0099
16	C6    -1.6783    -1.4879     3.2075	C.2	1	noname	0.0523
17	C7    -2.7545    -1.0814     2.4274	C.2	1	noname	0.0210
18	C8    -0.4049    -1.5546     2.6542	C.2	1	noname	0.0210
19	C9    -2.9558     1.1049    -0.7652	C.2	1	noname	0.1452
20	C10    -2.1442    -3.1365     4.5950	C.2	1	noname	0.0056
21	C11    -2.3801    -3.7117     5.8382	C.2	1	noname	0.0131
22	C12    -2.1909    -3.9189     3.4470	C.2	1	noname	0.0131
23	C13    -2.4735    -5.2765     3.5423	C.2	1	noname	0.0205
24	C14    -2.6626    -5.0693     5.9335	C.2	1	noname	0.0205
25	C15    -2.7094    -5.8517     4.7855	C.2	1	noname	0.0393
26	H1    -0.3766     0.3814    -0.9227	H	1	noname	0.0674
27	H2    -3.1127    -0.8762    -1.4218	H	1	noname	0.0603
28	H3     0.7267    -1.2638     0.9149	H	1	noname	0.0638
29	H4    -3.3472    -0.4434     0.5216	H	1	noname	0.0638
30	H5    -3.0971     0.5867    -3.3048	H	1	noname	0.1192
31	H6    -1.8246    -0.4897    -3.3909	H	1	noname	0.1192
32	H7    -1.1780    -2.3171    -1.5029	H	1	noname	0.2110
33	H8    -2.3458    -3.1376     6.6806	H	1	noname	0.0662
34	H9    -2.0178    -3.4967     2.5347	H	1	noname	0.0662
35	H10    -4.7127     2.0730    -0.4787	H	1	noname	0.2213
36	H11    -2.9777    -7.5689     3.9828	H	1	noname	0.2182
@<TRIPOS>BOND
1	1	17	1
2	2	18	1
3	3	23	1
4	4	24	1
5	5	11	1
6	5	32	1
7	6	16	1
8	6	20	1
9	7	19	1
10	7	35	1
11	8	19	2
12	9	25	1
13	9	36	1
14	12	10	1
15	10	30	1
16	10	31	1
17	11	12	1
18	11	13	1
19	11	26	1
20	12	19	1
21	12	27	1
22	13	14	2
23	13	15	1
24	14	18	1
25	14	28	1
26	15	17	2
27	15	29	1
28	16	17	1
29	16	18	2
30	20	21	2
31	20	22	1
32	21	24	1
33	21	33	1
34	22	23	2
35	22	34	1
36	23	25	1
37	24	25	2
@<TRIPOS>SUBSTRUCTURE
1	noname	1