@<TRIPOS>MOLECULE
50132260
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	I1     1.5898    -2.6787     1.6633	I	1	noname	-0.0442
2	C1     1.9470    -0.6623     1.5681	C.2	1	noname	-0.0402
3	C2     1.7496     0.1427     2.7485	C.2	1	noname	-0.0060
4	C3     2.3871    -0.0878     0.3283	C.2	1	noname	-0.0354
5	C4     1.9167     1.5546     2.6752	C.2	1	noname	-0.0070
6	C5     2.5886     1.3257     0.2570	C.2	1	noname	-0.0418
7	Cl1     1.6922     2.5275     4.0350	Cl	1	noname	-0.0793
8	C6     2.2804     2.1234     1.4152	C.2	1	noname	0.0031
9	N1     2.2648     3.4587     1.3149	N.3	1	noname	0.0066
10	C7     1.2528     4.2435     0.8511	C.2	1	noname	0.0752
11	C8     1.5996     5.6161     0.9560	C.2	1	noname	0.0744
12	C9    -0.0544     3.8460     0.3453	C.2	1	noname	-0.0027
13	F1     2.7815     5.9682     1.3703	F	1	noname	-0.1475
14	C10     0.6399     6.5973     0.6031	C.2	1	noname	0.0823
15	C11    -0.5639     2.4888     0.1177	C.2	1	noname	0.0508
16	C12    -1.0021     4.8404    -0.0334	C.2	1	noname	-0.0031
17	F2     0.9334     7.8591     0.7229	F	1	noname	-0.1486
18	C13    -0.6437     6.2135     0.1182	C.2	1	noname	-0.0049
19	O1    -0.4936     1.9346    -1.0005	O.2	1	noname	-0.2822
20	N2    -1.1655     1.8151     1.2891	N.3	1	noname	0.0177
21	O2    -1.6409     0.6107     1.1729	O.3	1	noname	-0.3062
22	C14    -2.1601     0.1841     2.4239	C.3	1	noname	0.0717
23	C15    -2.7197    -1.2333     2.2871	C.3	1	noname	-0.0158
24	C16    -3.2791    -1.6930     3.6350	C.3	1	noname	-0.0478
25	C17    -1.9096    -2.1884     3.1661	C.3	1	noname	-0.0478
26	H1     1.4737    -0.3167     3.6976	H	1	noname	0.0649
27	H2     2.5654    -0.7149    -0.5452	H	1	noname	0.0634
28	H3     2.9674     1.7834    -0.6568	H	1	noname	0.0640
29	H4     3.1069     3.9239     1.6223	H	1	noname	0.1343
30	H5    -1.9775     4.5576    -0.4293	H	1	noname	0.0632
31	H6    -1.3666     6.9865    -0.1423	H	1	noname	0.0654
32	H7    -1.2567     2.1983     2.2191	H	1	noname	0.1647
33	H8    -1.3032     0.1454     3.0964	H	1	noname	0.0590
34	H9    -2.9912     0.8560     2.6381	H	1	noname	0.0590
35	H10    -3.0732    -1.2345     1.2561	H	1	noname	0.0327
36	H11    -3.2645    -0.9483     4.4308	H	1	noname	0.0270
37	H12    -4.0871    -2.4230     3.5864	H	1	noname	0.0270
38	H13    -1.8726    -3.2241     2.8282	H	1	noname	0.0270
39	H14    -1.0500    -1.7494     3.6725	H	1	noname	0.0270
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	1
7	5	8	2
8	6	8	1
9	8	9	1
10	9	10	1
11	10	11	2
12	10	12	1
13	11	13	1
14	11	14	1
15	12	15	1
16	12	16	2
17	14	17	1
18	14	18	2
19	15	19	2
20	15	20	1
21	16	18	1
22	20	21	1
23	21	22	1
24	22	23	1
25	23	24	1
26	23	25	1
27	24	25	1
28	3	26	1
29	4	27	1
30	6	28	1
31	9	29	1
32	16	30	1
33	18	31	1
34	20	32	1
35	22	33	1
36	22	34	1
37	23	35	1
38	24	36	1
39	24	37	1
40	25	38	1
41	25	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1