@<TRIPOS>MOLECULE
122470
38 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     0.8263    -2.6927     3.0792	Cl	1	noname	-0.0357
2	C1     0.1604    -4.2253     2.8475	C.2	1	noname	0.0526
3	N1    -0.8953    -4.6209     3.6393	N.2	1	noname	-0.2185
4	C2     0.7017    -5.0617     1.8493	C.2	1	noname	0.0450
5	C3    -1.5088    -5.8530     3.5260	C.2	1	noname	0.0063
6	N2     1.7274    -4.6969     1.0680	N.3	1	noname	0.0937
7	C4     0.0617    -6.3256     1.7467	C.2	1	noname	-0.0005
8	C5    -1.0403    -6.7815     2.5454	C.2	1	noname	0.0024
9	S1     1.1389    -3.9437    -0.3135	S	1	noname	-0.0973
10	C6    -1.6243    -8.0884     2.3534	C.2	1	noname	-0.0619
11	O1     0.1832    -4.9446    -1.0966	O.2	1	noname	-0.1952
12	O2     0.3213    -2.6439     0.0990	O.2	1	noname	-0.1952
13	C7     2.4621    -3.4934    -1.3329	C.2	1	noname	0.0164
14	N3    -1.2787    -9.0327     1.4339	N.3	1	noname	-0.0680
15	C8    -2.6869    -8.6681     3.0907	C.2	1	noname	0.0337
16	C9     3.3649    -2.5239    -0.9122	C.2	1	noname	0.0312
17	C10     2.6223    -4.1010    -2.5728	C.2	1	noname	0.0312
18	C11    -2.0854   -10.1172     1.6449	C.2	1	noname	0.0690
19	C12    -0.3372    -9.0607     0.4024	C.2	1	noname	-0.0619
20	N4    -2.9494    -9.9085     2.6482	N.2	1	noname	-0.1922
21	C13     4.4281    -2.1621    -1.7313	C.2	1	noname	0.0165
22	C14     3.6855    -3.7392    -3.3918	C.2	1	noname	0.0165
23	N5    -1.9745   -11.2375     0.8679	N.2	1	noname	-0.1949
24	C15    -0.1921   -10.1900    -0.4289	C.2	1	noname	-0.0163
25	C16     4.5884    -2.7697    -2.9711	C.2	1	noname	0.0511
26	C17    -1.0466   -11.2828    -0.1564	C.2	1	noname	0.0464
27	F1     5.5834    -2.4310    -3.7377	F	1	noname	-0.1621
28	H1    -2.3396    -6.0861     4.1920	H	1	noname	0.0846
29	H2     2.6509    -4.9192     1.4114	H	1	noname	0.1507
30	H3     0.4503    -7.0053     0.9884	H	1	noname	0.0648
31	H4    -3.2419    -8.2097     3.9092	H	1	noname	0.0861
32	H5     3.2393    -2.0474     0.0601	H	1	noname	0.0640
33	H6     1.9143    -4.8613    -2.9027	H	1	noname	0.0640
34	H7     0.2948    -8.1868     0.2437	H	1	noname	0.0797
35	H8     5.1361    -1.4018    -1.4013	H	1	noname	0.0653
36	H9     3.8112    -4.2157    -4.3641	H	1	noname	0.0653
37	H10     0.5393   -10.2168    -1.2366	H	1	noname	0.0652
38	H11    -0.9882   -12.1910    -0.7563	H	1	noname	0.0841
@<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	1
15	10	15	2
16	13	16	2
17	13	17	1
18	14	18	1
19	14	19	1
20	15	20	1
21	16	21	1
22	17	22	2
23	18	23	1
24	18	20	2
25	19	24	2
26	21	25	2
27	22	25	1
28	23	26	2
29	24	26	1
30	25	27	1
31	5	28	1
32	6	29	1
33	7	30	1
34	15	31	1
35	16	32	1
36	17	33	1
37	19	34	1
38	21	35	1
39	22	36	1
40	24	37	1
41	26	38	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1