@<TRIPOS>MOLECULE
50332046
35 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     4.4934    -0.7134    -5.1493	S.3	1	noname	-0.1765
2	C1     5.5366    -0.2824    -3.7855	C.2	1	noname	0.0771
3	C2     3.2936     0.5841    -5.1830	C.2	1	noname	0.0460
4	C3     4.9160     0.8992    -3.3659	C.2	1	noname	0.0586
5	C4     6.6544    -0.9330    -3.2764	C.2	1	noname	0.1159
6	C5     3.7744     1.3259    -4.0894	C.2	1	noname	0.0191
7	N1     5.3820     1.5990    -2.3225	N.3	1	noname	-0.1250
8	O1     7.2599    -0.4573    -2.2917	O.2	1	noname	-0.2498
9	O2     7.0861    -2.0786    -3.8453	O.3	1	noname	-0.2039
10	C6     5.2204     2.9286    -2.2816	C.2	1	noname	0.1324
11	C7     8.2281    -2.7432    -3.3251	C.3	1	noname	0.0457
12	O3     4.6350     3.5161    -3.2169	O.2	1	noname	-0.2744
13	C8     5.7281     3.6911    -1.1448	C.3	1	noname	0.0467
14	C9     5.4294     5.1073    -1.3362	C.2	1	noname	-0.0486
15	C10     5.8183     6.0354    -0.3773	C.2	1	noname	-0.0452
16	C11     4.7561     5.5275    -2.4773	C.2	1	noname	-0.0452
17	C12     5.5338     7.3837    -0.5595	C.2	1	noname	-0.0252
18	C13     4.4716     6.8758    -2.6595	C.2	1	noname	-0.0252
19	C14     4.8605     7.8040    -1.7006	C.2	1	noname	-0.0097
20	C15     4.5617     9.2202    -1.8920	C.3	1	noname	0.4161
21	F1     3.3388     9.5075    -1.3429	F	1	noname	-0.1661
22	F2     5.5268     9.9776    -1.2800	F	1	noname	-0.1661
23	F3     4.5390     9.5053    -3.2328	F	1	noname	-0.1661
24	H1     2.4206     0.8727    -5.7684	H	1	noname	0.0740
25	H2     3.2572     2.2406    -3.7997	H	1	noname	0.0648
26	H3     5.8550     1.1243    -1.5668	H	1	noname	0.1371
27	H4     8.1950    -2.7239    -2.2358	H	1	noname	0.0536
28	H5     8.2353    -3.7772    -3.6701	H	1	noname	0.0536
29	H6     9.1307    -2.2388    -3.6701	H	1	noname	0.0536
30	H7     5.1641     3.3658    -0.2706	H	1	noname	0.0411
31	H8     6.8137     3.5936    -1.1601	H	1	noname	0.0411
32	H9     6.3463     5.7059     0.5176	H	1	noname	0.0625
33	H10     4.4511     4.7997    -3.2292	H	1	noname	0.0625
34	H11     5.8388     8.1115     0.1925	H	1	noname	0.0628
35	H12     3.9436     7.2054    -3.5543	H	1	noname	0.0628
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	2
4	2	5	1
5	3	6	2
6	4	7	1
7	4	6	1
8	5	8	2
9	5	9	1
10	7	10	1
11	9	11	1
12	10	12	2
13	10	13	1
14	13	14	1
15	14	15	2
16	14	16	1
17	15	17	1
18	16	18	2
19	17	19	2
20	18	19	1
21	19	20	1
22	20	21	1
23	20	22	1
24	20	23	1
25	3	24	1
26	6	25	1
27	7	26	1
28	11	27	1
29	11	28	1
30	11	29	1
31	13	30	1
32	13	31	1
33	15	32	1
34	16	33	1
35	17	34	1
36	18	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1