@<TRIPOS>MOLECULE
50351957
39 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -1.8423    -6.8881     2.6756	Cl	1	noname	-0.0365
2	C1    -1.3981    -7.1218     1.0650	C.2	1	noname	0.0515
3	N1    -0.3343    -7.9399     0.7840	N.2	1	noname	-0.2212
4	C2    -2.1368    -6.4663     0.0505	C.2	1	noname	0.0422
5	C3     0.0966    -8.1886    -0.5000	C.2	1	noname	0.0005
6	N2    -3.1774    -5.6634     0.3113	N.3	1	noname	0.0935
7	C4    -1.6786    -6.7336    -1.2707	C.2	1	noname	-0.0066
8	C5    -0.5701    -7.5849    -1.6211	C.2	1	noname	-0.0061
9	S1    -2.6324    -4.0866     0.5089	S	1	noname	-0.0973
10	C6    -0.1436    -7.8183    -2.9990	C.2	1	noname	-0.0248
11	O1    -1.7849    -3.9829     1.8502	O.2	1	noname	-0.1952
12	O2    -1.7186    -3.6827    -0.7280	O.2	1	noname	-0.1952
13	C7    -3.9876    -3.0150     0.5988	C.2	1	noname	0.0164
14	C8    -0.8441    -7.1935    -4.0954	C.2	1	noname	-0.0168
15	C9     0.9932    -8.6646    -3.3090	C.2	1	noname	-0.0266
16	C10    -3.7865    -1.6566     0.8142	C.2	1	noname	0.0312
17	C11    -5.2776    -3.5125     0.4557	C.2	1	noname	0.0312
18	C12    -0.3805    -7.4324    -5.3959	C.2	1	noname	-0.0535
19	C13     1.4954    -8.9127    -4.6008	C.2	1	noname	-0.0058
20	C14    -4.8754    -0.7957     0.8864	C.2	1	noname	0.0165
21	C15    -6.3665    -2.6515     0.5280	C.2	1	noname	0.0165
22	N3    -0.8538    -6.9909    -6.5639	N.3	1	noname	-0.0411
23	C16     0.7444    -8.2445    -5.6056	C.2	1	noname	0.0110
24	C17    -6.1654    -1.2931     0.7433	C.2	1	noname	0.0511
25	C18    -0.0189    -7.5110    -7.4860	C.2	1	noname	-0.0459
26	N4     0.9578    -8.2700    -6.9242	N.2	1	noname	-0.2328
27	F1    -7.1845    -0.4873     0.8110	F	1	noname	-0.1621
28	H1     0.9516    -8.8527    -0.6268	H	1	noname	0.0846
29	H2    -4.0845    -6.1061     0.3475	H	1	noname	0.1507
30	H3    -2.2214    -6.2464    -2.0807	H	1	noname	0.0647
31	H4    -1.7110    -6.5504    -3.9433	H	1	noname	0.0649
32	H5     1.5199    -9.1611    -2.4941	H	1	noname	0.0629
33	H6    -2.7749    -1.2665     0.9264	H	1	noname	0.0640
34	H7    -5.4354    -4.5777     0.2869	H	1	noname	0.0640
35	H8     2.3607    -9.5454    -4.7989	H	1	noname	0.0646
36	H9    -4.7176     0.2695     1.0553	H	1	noname	0.0653
37	H10    -7.3781    -3.0416     0.4158	H	1	noname	0.0653
38	H11    -1.6585    -6.3995    -6.7152	H	1	noname	0.1537
39	H12    -0.1212    -7.3386    -8.5574	H	1	noname	0.1013
@<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	22	38	1
42	25	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1