@<TRIPOS>MOLECULE
76970319
40 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     6.3970     3.4801     0.1636	Cl	1	noname	-0.0274
2	O1     8.0271    -1.0264     1.2339	O.3	1	noname	-0.3892
3	O2     6.2599     0.7440     0.0576	O.3	1	noname	-0.1898
4	N1     8.4288    -3.5658    -0.1477	N.3	1	noname	-0.3006
5	N2     5.1443     1.2809     0.0658	N.2	1	noname	-0.1737
6	N3     1.4010     3.2217     0.1152	N.2	1	noname	-0.2430
7	C1     8.3042    -5.0388     0.1364	C.3	1	noname	-0.0017
8	C2     9.1900    -3.1469    -1.3740	C.3	1	noname	-0.0017
9	C3     9.1910    -6.0196    -0.6956	C.3	1	noname	-0.0403
10	C4     8.9956    -4.0798    -2.5903	C.3	1	noname	-0.0403
11	C5     9.3556    -5.5345    -2.1658	C.3	1	noname	-0.0509
12	C6     7.1040    -2.8876     0.0038	C.3	1	noname	0.0267
13	C7     7.2467    -1.3515     0.0918	C.3	1	noname	0.0928
14	C8     5.9173    -0.6393     0.0989	C.3	1	noname	0.1044
15	C9     5.0255     2.5513     0.1159	C.2	1	noname	0.0726
16	C10     3.8040     3.1751     0.1317	C.2	1	noname	0.0132
17	C11     3.7953     4.5930     0.1880	C.2	1	noname	-0.0042
18	C12     2.5491     2.4754     0.0949	C.2	1	noname	0.0332
19	C13     2.5798     5.3476     0.2080	C.2	1	noname	-0.0147
20	C14     1.3742     4.6021     0.1690	C.2	1	noname	0.0114
21	H1     7.2589    -5.3371     0.0562	H	1	noname	0.0430
22	H2     8.4811    -5.1978     1.2002	H	1	noname	0.0430
23	H3     8.9077    -2.1301    -1.6471	H	1	noname	0.0430
24	H4    10.2463    -3.2448    -1.1232	H	1	noname	0.0430
25	H5     8.7401    -7.0119    -0.6887	H	1	noname	0.0279
26	H6    10.1832    -6.0145    -0.2443	H	1	noname	0.0279
27	H7     7.9555    -4.0427    -2.9141	H	1	noname	0.0279
28	H8     9.5965    -3.7581    -3.4409	H	1	noname	0.0279
29	H9     8.8679    -6.2404    -2.8380	H	1	noname	0.0267
30	H10    10.4235    -5.6496    -2.3517	H	1	noname	0.0267
31	H11     6.4652    -3.1453    -0.8410	H	1	noname	0.0458
32	H12     6.6125    -3.2617     0.9019	H	1	noname	0.0458
33	H13     7.7503    -0.9780    -0.7995	H	1	noname	0.0639
34	H14     5.3938    -0.8563     1.0300	H	1	noname	0.0622
35	H15     5.2928    -0.8954    -0.7569	H	1	noname	0.0622
36	H16     7.5835    -1.3646     2.0397	H	1	noname	0.2106
37	H17     4.6852     5.0909     0.2150	H	1	noname	0.0631
38	H18     2.5147     1.4568     0.0550	H	1	noname	0.0846
39	H19     2.5804     6.3668     0.2482	H	1	noname	0.0638
40	H20     0.4784     5.0896     0.1809	H	1	noname	0.0839
@<TRIPOS>BOND
1	1	15	1
2	13	2	1
3	2	36	1
4	3	5	1
5	3	14	1
6	4	7	1
7	4	8	1
8	4	12	1
9	5	15	2
10	6	18	1
11	6	20	2
12	7	9	1
13	7	21	1
14	7	22	1
15	8	10	1
16	8	23	1
17	8	24	1
18	9	11	1
19	9	25	1
20	9	26	1
21	10	11	1
22	10	27	1
23	10	28	1
24	11	29	1
25	11	30	1
26	12	13	1
27	12	31	1
28	12	32	1
29	13	14	1
30	13	33	1
31	14	34	1
32	14	35	1
33	15	16	1
34	16	17	1
35	16	18	2
36	17	19	2
37	17	37	1
38	18	38	1
39	19	20	1
40	19	39	1
41	20	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1