@<TRIPOS>MOLECULE
DB00801
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     3.9320     1.0333    -0.6821	Cl	1	noname	-0.0841
2	C1     2.2567     1.1733    -0.5410	C.2	1	noname	-0.0050
3	C2     1.4397     0.0093    -0.6793	C.2	1	noname	0.0040
4	C3     1.6769     2.4547    -0.2850	C.2	1	noname	-0.0136
5	C4     0.0343     0.1416    -0.5204	C.2	1	noname	0.0061
6	C5     0.2746     2.6090    -0.1358	C.2	1	noname	-0.0165
7	C6    -0.7887    -0.9865    -0.6384	C.2	1	noname	0.0056
8	C7    -0.5376     1.4359    -0.2319	C.2	1	noname	0.0063
9	N1    -1.8559    -1.2373     0.0390	N.2	1	noname	-0.2528
10	C8    -0.4231    -1.9131    -1.5643	C.2	1	noname	-0.0301
11	N2    -1.8738     1.5970    -0.0790	N.3	1	noname	-0.1180
12	C9    -2.3781    -0.5349     1.1477	C.3	1	noname	0.1138
13	C10    -1.1890    -3.0596    -1.7402	C.2	1	noname	-0.0352
14	C11     0.7166    -1.7137    -2.3346	C.2	1	noname	-0.0352
15	C12    -2.6649     0.9643     0.9405	C.2	1	noname	0.1466
16	C13    -2.5372     2.4479    -0.9866	C.3	1	noname	0.1069
17	C14    -0.8153    -4.0067    -2.6865	C.2	1	noname	-0.0534
18	C15     1.0903    -2.6608    -3.2809	C.2	1	noname	-0.0534
19	O1    -3.5209     1.5837     1.6085	O.2	1	noname	-0.2661
20	C16    -3.0128     1.6356    -2.1928	C.3	1	noname	0.4019
21	C17     0.3243    -3.8073    -3.4569	C.2	1	noname	-0.0530
22	F1    -3.6579     2.4630    -3.0754	F	1	noname	-0.1696
23	F2    -3.8740     0.6551    -1.7727	F	1	noname	-0.1696
24	F3    -1.9326     1.0609    -2.8113	F	1	noname	-0.1696
25	H1     1.8806    -0.9624    -0.9020	H	1	noname	0.0645
26	H2     2.3175     3.3327    -0.2018	H	1	noname	0.0638
27	H3    -0.1621     3.5911     0.0456	H	1	noname	0.0640
28	H4    -3.3374    -1.0207     1.3264	H	1	noname	0.0612
29	H5    -1.5838    -0.6073     1.8906	H	1	noname	0.0612
30	H6    -2.0828    -3.2160    -1.1361	H	1	noname	0.0629
31	H7     1.3173    -0.8147    -2.1967	H	1	noname	0.0629
32	H8    -3.4160     2.8100    -0.4530	H	1	noname	0.0534
33	H9    -1.7789     3.1522    -1.3289	H	1	noname	0.0534
34	H10    -1.4160    -4.9057    -2.8245	H	1	noname	0.0622
35	H11     1.9840    -2.5044    -3.8850	H	1	noname	0.0622
36	H12     0.6174    -4.5500    -4.1989	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	1
7	5	8	2
8	6	8	1
9	7	9	2
10	7	10	1
11	8	11	1
12	9	12	1
13	10	13	2
14	10	14	1
15	11	15	1
16	11	16	1
17	12	15	1
18	13	17	1
19	14	18	2
20	15	19	2
21	16	20	1
22	17	21	2
23	18	21	1
24	20	22	1
25	20	23	1
26	20	24	1
27	3	25	1
28	4	26	1
29	6	27	1
30	12	28	1
31	12	29	1
32	13	30	1
33	14	31	1
34	16	32	1
35	16	33	1
36	17	34	1
37	18	35	1
38	21	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1