@<TRIPOS>MOLECULE
50351948
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -7.0308     0.6327    -4.2996	Cl	1	noname	-0.0365
2	C1    -7.8011     1.3592    -2.9863	C.2	1	noname	0.0514
3	N1    -8.3771     2.5920    -3.1568	N.2	1	noname	-0.2212
4	C2    -7.8298     0.6736    -1.7460	C.2	1	noname	0.0422
5	C3    -9.0219     3.2647    -2.1439	C.2	1	noname	0.0004
6	N2    -7.2615    -0.5264    -1.5650	N.3	1	noname	0.0935
7	C4    -8.5169     1.3717    -0.7049	C.2	1	noname	-0.0067
8	C5    -9.1282     2.6659    -0.8410	C.2	1	noname	-0.0061
9	S1    -5.6696    -0.3229    -1.0682	S	1	noname	-0.0973
10	C6    -9.7916     3.3211     0.2565	C.2	1	noname	-0.0241
11	O1    -5.6386     0.0207     0.4839	O.2	1	noname	-0.1952
12	O2    -5.0067     0.8675    -1.8878	O.2	1	noname	-0.1952
13	C7    -4.7854    -1.7822    -1.3537	C.2	1	noname	0.0164
14	C8   -10.9170     4.1862    -0.0161	C.2	1	noname	0.0045
15	C9    -9.3521     3.1282     1.6186	C.2	1	noname	-0.0271
16	C10    -5.0713    -2.9239    -0.6143	C.2	1	noname	0.0312
17	C11    -3.7891    -1.8129    -2.3224	C.2	1	noname	0.0312
18	C12   -11.5092     4.7976     1.0889	C.2	1	noname	0.0484
19	C13    -9.9778     3.7278     2.7404	C.2	1	noname	-0.0053
20	C14    -4.3608    -4.0964    -0.8436	C.2	1	noname	0.0165
21	C15    -3.0786    -2.9854    -2.5517	C.2	1	noname	0.0165
22	S2   -12.8590     5.9108     1.2668	S.3	1	noname	-0.1693
23	C16   -11.0751     4.5646     2.4240	C.2	1	noname	0.0317
24	C17    -3.3645    -4.1272    -1.8123	C.2	1	noname	0.0511
25	C18   -12.8506     6.0040     3.0342	C.2	1	noname	0.0752
26	N3   -11.8021     5.2011     3.3882	N.2	1	noname	-0.2103
27	F1    -2.6995    -5.2246    -2.0270	F	1	noname	-0.1621
28	H1    -9.4380     4.2470    -2.3679	H	1	noname	0.0846
29	H2    -7.8471    -1.3293    -1.7456	H	1	noname	0.1507
30	H3    -8.5795     0.8802     0.2660	H	1	noname	0.0647
31	H4   -11.3049     4.3708    -1.0179	H	1	noname	0.0644
32	H5    -8.4917     2.4879     1.8128	H	1	noname	0.0629
33	H6    -5.8526    -2.8998     0.1454	H	1	noname	0.0640
34	H7    -3.5649    -0.9175    -2.9022	H	1	noname	0.0640
35	H8    -9.6423     3.5591     3.7637	H	1	noname	0.0645
36	H9    -4.5850    -4.9918    -0.2638	H	1	noname	0.0653
37	H10    -2.2973    -3.0095    -3.3114	H	1	noname	0.0653
38	H11   -13.4260     6.4997     3.8161	H	1	noname	0.0959
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	1
6	4	7	2
7	5	8	2
8	6	9	1
9	7	8	1
10	8	10	1
11	9	11	2
12	9	12	2
13	9	13	1
14	10	14	2
15	10	15	1
16	13	16	2
17	13	17	1
18	14	18	1
19	15	19	2
20	16	20	1
21	17	21	2
22	18	22	1
23	18	23	2
24	19	23	1
25	20	24	2
26	21	24	1
27	22	25	1
28	23	26	1
29	24	27	1
30	25	26	2
31	5	28	1
32	6	29	1
33	7	30	1
34	14	31	1
35	15	32	1
36	16	33	1
37	17	34	1
38	19	35	1
39	20	36	1
40	21	37	1
41	25	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1