@<TRIPOS>MOLECULE
91810528
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1     0.1676     4.3664    -0.8801	I	1	noname	-0.0413
2	I2    -2.4346     1.9225    -5.6504	I	1	noname	-0.0413
3	I3     3.3626     0.8501    -4.5423	I	1	noname	-0.0413
4	I4     2.7543     6.2533    -6.9787	I	1	noname	-0.0413
5	O1    -0.9278     3.9836    -3.8074	O.3	1	noname	-0.1945
6	O2     1.4894    -1.6735    -0.4719	O.3	1	noname	-0.2139
7	O3     0.3005     0.1837    -0.0140	O.2	1	noname	-0.2495
8	O4     3.9701     3.4529    -6.2072	O.3	1	noname	-0.2754
9	N1    -1.1882    -2.8054    -0.1871	N.3	1	noname	-0.3191
10	C1    -2.0551    -0.6153    -0.8363	C.3	1	noname	-0.0029
11	C2    -0.8934    -1.6026    -0.9642	C.3	1	noname	0.0953
12	C3    -1.7607     0.5858    -1.6123	C.2	1	noname	-0.0458
13	C4    -2.1463     0.6639    -2.9455	C.2	1	noname	-0.0180
14	C5    -1.0948     1.6514    -1.0179	C.2	1	noname	-0.0180
15	C6    -1.2000     2.8730    -3.0898	C.2	1	noname	0.0516
16	C7    -0.8145     2.7949    -1.7567	C.2	1	noname	0.0186
17	C8    -1.8659     1.8074    -3.6842	C.2	1	noname	0.0186
18	C9     0.3288    -0.9842    -0.4588	C.2	1	noname	0.1438
19	C10     0.2788     3.8529    -4.3986	C.2	1	noname	0.0056
20	C11     0.7771     4.8772    -5.1952	C.2	1	noname	0.0131
21	C12     1.0229     2.6939    -4.2107	C.2	1	noname	0.0131
22	C13     2.2652     2.5593    -4.8194	C.2	1	noname	0.0205
23	C14     2.0194     4.7426    -5.8039	C.2	1	noname	0.0205
24	C15     2.7635     3.5836    -5.6160	C.2	1	noname	0.0393
25	H1    -2.9676    -1.0770    -1.2136	H	1	noname	0.0337
26	H2    -2.1902    -0.3469     0.2115	H	1	noname	0.0337
27	H3    -0.7583    -1.8710    -2.0120	H	1	noname	0.0575
28	H4    -2.6349    -0.1181    -3.3816	H	1	noname	0.0637
29	H5    -0.8119     1.5941    -0.0396	H	1	noname	0.0637
30	H6    -2.0437    -3.2383    -0.5409	H	1	noname	0.1191
31	H7    -1.3148    -2.5538     0.7953	H	1	noname	0.1191
32	H8     0.2311     5.7276    -5.3330	H	1	noname	0.0662
33	H9     0.6572     1.9422    -3.6261	H	1	noname	0.0662
34	H10     2.3409    -1.1977    -0.5666	H	1	noname	0.2213
35	H11     4.3564     2.5834    -5.9724	H	1	noname	0.2182
@<TRIPOS>BOND
1	1	16	1
2	2	17	1
3	3	22	1
4	4	23	1
5	5	15	1
6	5	19	1
7	6	18	1
8	6	34	1
9	7	18	2
10	8	24	1
11	8	35	1
12	11	9	1
13	9	30	1
14	9	31	1
15	10	11	1
16	10	12	1
17	10	25	1
18	10	26	1
19	11	18	1
20	11	27	1
21	12	13	2
22	12	14	1
23	13	17	1
24	13	28	1
25	14	16	2
26	14	29	1
27	15	16	1
28	15	17	2
29	19	20	2
30	19	21	1
31	20	23	1
32	20	32	1
33	21	22	2
34	21	33	1
35	22	24	1
36	23	24	2
@<TRIPOS>SUBSTRUCTURE
1	noname	1