@<TRIPOS>MOLECULE
71316964
37 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1     1.5630     3.7144    -1.6198	I	1	noname	-0.0413
2	I2    -2.2490     1.8086    -5.7836	I	1	noname	-0.0413
3	I3     3.1488    -0.7609    -5.2862	I	1	noname	-0.0413
4	I4     3.6627     4.4445    -8.1393	I	1	noname	-0.0413
5	O1    -0.0004     3.4770    -4.3428	O.3	1	noname	-0.1945
6	O2     1.2704    -2.4199    -0.7956	O.3	1	noname	-0.2138
7	O3     0.6977    -0.2821    -0.3780	O.2	1	noname	-0.2493
8	O4    -1.8471    -4.8823     0.3438	O.2	1	noname	-0.3022
9	O5     4.1847     1.4678    -7.2547	O.3	1	noname	-0.2754
10	N1    -1.5257    -2.7098    -0.1146	N.3	1	noname	-0.0767
11	C1    -1.8779    -0.4442    -0.8290	C.3	1	noname	-0.0023
12	C2    -1.0521    -1.7207    -1.0009	C.3	1	noname	0.1037
13	C3    -1.3876     0.5799    -1.7468	C.2	1	noname	-0.0458
14	C4    -1.9243     0.6824    -3.0249	C.2	1	noname	-0.0180
15	C5    -0.3840     1.4525    -1.3424	C.2	1	noname	-0.0180
16	C6    -0.4538     2.5300    -3.4942	C.2	1	noname	0.0516
17	C7     0.0829     2.4275    -2.2162	C.2	1	noname	0.0186
18	C8    -1.4574     1.6574    -3.8986	C.2	1	noname	0.0186
19	C9     0.3498    -1.4363    -0.7087	C.2	1	noname	0.1442
20	C10     1.0306     2.9820    -5.0602	C.2	1	noname	0.0056
21	C11    -1.4272    -4.0054    -0.4420	C.2	1	noname	0.0331
22	C12     1.6652     3.7789    -6.0059	C.2	1	noname	0.0131
23	C13     1.4576     1.6756    -4.8530	C.2	1	noname	0.0131
24	C14     2.5191     1.1659    -5.5916	C.2	1	noname	0.0205
25	C15     2.7267     3.2693    -6.7445	C.2	1	noname	0.0205
26	C16     3.1537     1.9628    -6.5374	C.2	1	noname	0.0393
27	H1    -2.9246    -0.6565    -1.0472	H	1	noname	0.0337
28	H2    -1.7858    -0.0872     0.1967	H	1	noname	0.0337
29	H3    -1.1443    -2.0777    -2.0266	H	1	noname	0.0581
30	H4    -2.6607     0.0421    -3.3216	H	1	noname	0.0637
31	H5     0.0099     1.3773    -0.4045	H	1	noname	0.0637
32	H6    -1.9228    -2.4523     0.7322	H	1	noname	0.1316
33	H7    -1.0097    -4.2762    -1.3323	H	1	noname	0.1231
34	H8     1.3519     4.7376    -6.1579	H	1	noname	0.0662
35	H9     0.9919     1.0908    -4.1591	H	1	noname	0.0662
36	H10     2.1954    -2.2053    -1.0378	H	1	noname	0.2213
37	H11     4.5138     2.1553    -7.8707	H	1	noname	0.2182
@<TRIPOS>BOND
1	1	17	1
2	2	18	1
3	3	24	1
4	4	25	1
5	5	16	1
6	5	20	1
7	6	19	1
8	6	36	1
9	7	19	2
10	8	21	2
11	9	26	1
12	9	37	1
13	12	10	1
14	10	21	1
15	10	32	1
16	11	12	1
17	11	13	1
18	11	27	1
19	11	28	1
20	12	19	1
21	12	29	1
22	13	14	2
23	13	15	1
24	14	18	1
25	14	30	1
26	15	17	2
27	15	31	1
28	16	17	1
29	16	18	2
30	20	22	2
31	20	23	1
32	21	33	1
33	22	25	1
34	22	34	1
35	23	24	2
36	23	35	1
37	24	26	1
38	25	26	2
@<TRIPOS>SUBSTRUCTURE
1	noname	1