@<TRIPOS>MOLECULE
76961477
35 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     2.7985     3.6577    -0.0101	S.3	1	noname	-0.1038
2	F1     6.2761     3.1267    -1.8141	F	1	noname	-0.2500
3	O1     0.4916     0.2629     2.9808	O.3	1	noname	-0.2785
4	O2     0.4998     3.0328    -1.7477	O.3	1	noname	-0.2741
5	N1    -2.3065    -2.5185     0.9653	N.3	1	noname	-0.3301
6	C1    -0.5302     0.7525     0.8957	C.2	1	noname	-0.0175
7	C2    -1.6077    -0.1880     1.1890	C.3	1	noname	0.0259
8	C3     0.4936     0.9453     1.8159	C.2	1	noname	-0.0113
9	C4    -0.5281     1.4551    -0.3036	C.2	1	noname	-0.0188
10	C5    -1.2274    -1.5767     0.6716	C.3	1	noname	-0.0035
11	C6     0.4978     2.3505    -0.5828	C.2	1	noname	0.0046
12	C7     1.5216     2.5433     0.3374	C.2	1	noname	0.0006
13	C8     1.5195     1.8407     1.5368	C.2	1	noname	-0.0031
14	C9     4.1315     2.7968    -0.8597	C.3	1	noname	0.0267
15	C10     5.2607     3.7824    -1.1670	C.3	1	noname	0.0989
16	C11    -0.2114     1.0077     3.9644	C.3	1	noname	0.0423
17	C12    -0.2017     4.2561    -1.5809	C.3	1	noname	0.0423
18	H1    -2.5231     0.1441     0.6992	H	1	noname	0.0330
19	H2    -1.7678    -0.2328     2.2662	H	1	noname	0.0330
20	H3    -1.2794     1.3136    -0.9789	H	1	noname	0.0654
21	H4    -1.0674    -1.5319    -0.4056	H	1	noname	0.0429
22	H5    -0.3121    -1.9088     1.1614	H	1	noname	0.0429
23	H6     2.2708     1.9822     2.2120	H	1	noname	0.0663
24	H7     3.7552     2.3736    -1.7910	H	1	noname	0.0410
25	H8     4.5106     1.9967    -0.2240	H	1	noname	0.0410
26	H9    -2.0525    -3.4461     0.6197	H	1	noname	0.1184
27	H10    -3.1648    -2.2071     0.5060	H	1	noname	0.1184
28	H11     4.8817     4.5825    -1.8027	H	1	noname	0.0632
29	H12     5.6370     4.2056    -0.2357	H	1	noname	0.0632
30	H13    -0.2131     0.4568     4.9049	H	1	noname	0.0535
31	H14    -1.2381     1.1668     3.6347	H	1	noname	0.0535
32	H15     0.2773     1.9713     4.1086	H	1	noname	0.0535
33	H16    -0.2001     4.8070    -2.5214	H	1	noname	0.0535
34	H17    -1.2295     4.0479    -1.2836	H	1	noname	0.0535
35	H18     0.2859     4.8524    -0.8096	H	1	noname	0.0535
@<TRIPOS>BOND
1	1	12	1
2	1	14	1
3	2	15	1
4	3	8	1
5	3	16	1
6	4	11	1
7	4	17	1
8	5	10	1
9	5	26	1
10	5	27	1
11	6	7	1
12	6	8	1
13	6	9	2
14	7	10	1
15	7	18	1
16	7	19	1
17	8	13	2
18	9	11	1
19	9	20	1
20	10	21	1
21	10	22	1
22	11	12	2
23	12	13	1
24	13	23	1
25	14	15	1
26	14	24	1
27	14	25	1
28	15	28	1
29	15	29	1
30	16	30	1
31	16	31	1
32	16	32	1
33	17	33	1
34	17	34	1
35	17	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1