@<TRIPOS>MOLECULE
66601885
40 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -2.4769     1.4496     0.3975	Cl	1	noname	-0.0728
2	O1    -2.5145    -3.2395    -2.0128	O.3	1	noname	-0.3892
3	O2    -0.8968    -1.0095     0.3775	O.3	1	noname	-0.2652
4	N1    -2.0594    -5.0505     0.1235	N.3	1	noname	-0.3093
5	C1    -1.2511    -6.0682     0.7930	C.3	1	noname	0.0099
6	C2    -1.2718    -3.8288    -0.0344	C.3	1	noname	0.0241
7	C3    -2.1177    -2.7637    -0.7351	C.3	1	noname	0.0904
8	C4    -2.0753    -7.3466     0.9582	C.3	1	noname	-0.0474
9	C5    -0.8236    -5.5556     2.1698	C.3	1	noname	-0.0474
10	C6    -0.0086    -6.3675    -0.0481	C.3	1	noname	-0.0474
11	C7    -1.2935    -1.4853    -0.9003	C.3	1	noname	0.0807
12	C8    -0.1696     0.1185     0.2317	C.2	1	noname	0.0280
13	C9     1.2109     0.0419     0.0890	C.2	1	noname	-0.0271
14	C10    -0.8014     1.3566     0.2243	C.2	1	noname	0.0040
15	C11     1.9597     1.2033    -0.0610	C.2	1	noname	-0.0475
16	C12     1.3279     2.4414    -0.0684	C.2	1	noname	-0.0684
17	C13    -0.0526     2.5181     0.0743	C.2	1	noname	-0.0221
18	C14     3.4097     1.1228    -0.2109	C.3	1	noname	-0.0006
19	H1    -2.8893    -4.8505     0.6853	H	1	noname	0.1228
20	H2    -0.9673    -3.4636     0.9464	H	1	noname	0.0455
21	H3    -0.3867    -4.0421    -0.6336	H	1	noname	0.0455
22	H4    -3.0029    -2.5505    -0.1358	H	1	noname	0.0638
23	H5    -1.4727    -8.1054     1.4574	H	1	noname	0.0249
24	H6    -2.9604    -7.1334     1.5575	H	1	noname	0.0249
25	H7    -2.3798    -7.7119    -0.0226	H	1	noname	0.0249
26	H8    -0.2210    -6.3144     2.6690	H	1	noname	0.0249
27	H9    -1.7088    -5.3424     2.7690	H	1	noname	0.0249
28	H10    -0.2365    -4.6448     2.0521	H	1	noname	0.0249
29	H11     0.5940    -7.1263     0.4511	H	1	noname	0.0249
30	H12    -0.3132    -6.7327    -1.0289	H	1	noname	0.0249
31	H13     0.5785    -5.4567    -0.1658	H	1	noname	0.0249
32	H14    -1.8961    -0.7265    -1.3995	H	1	noname	0.0599
33	H15    -0.4084    -1.6985    -1.4995	H	1	noname	0.0599
34	H16    -3.0562    -2.5573    -2.4617	H	1	noname	0.2106
35	H17     1.6746    -0.8667     0.0944	H	1	noname	0.0653
36	H18     1.8773     3.2937    -0.1785	H	1	noname	0.0625
37	H19    -0.5163     3.4266     0.0689	H	1	noname	0.0639
38	H20     3.6514     0.5373    -1.0980	H	1	noname	0.0279
39	H21     3.8205     2.1270    -0.3154	H	1	noname	0.0279
40	H22     3.8399     0.6440     0.6687	H	1	noname	0.0279
@<TRIPOS>BOND
1	1	14	1
2	7	2	1
3	2	34	1
4	3	11	1
5	3	12	1
6	4	5	1
7	4	6	1
8	4	19	1
9	5	8	1
10	5	9	1
11	5	10	1
12	6	7	1
13	6	20	1
14	6	21	1
15	7	11	1
16	7	22	1
17	8	23	1
18	8	24	1
19	8	25	1
20	9	26	1
21	9	27	1
22	9	28	1
23	10	29	1
24	10	30	1
25	10	31	1
26	11	32	1
27	11	33	1
28	12	13	1
29	12	14	2
30	13	15	2
31	13	35	1
32	14	17	1
33	15	16	1
34	15	18	1
35	16	17	2
36	16	36	1
37	17	37	1
38	18	38	1
39	18	39	1
40	18	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1