@<TRIPOS>MOLECULE
DB00800
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1    -0.2413     3.8913    -1.1536	Cl	1	noname	-0.0685
2	C1     0.4608     2.4948    -0.5189	C.2	1	noname	0.0161
3	C2     1.8383     2.4714    -0.1676	C.2	1	noname	0.0468
4	C3    -0.3159     1.3142    -0.3242	C.2	1	noname	-0.0252
5	O1     2.5823     3.5852    -0.3367	O.3	1	noname	-0.2690
6	C4     2.4464     1.3047     0.3558	C.2	1	noname	0.0227
7	C5     0.3183     0.0965     0.1797	C.2	1	noname	-0.0496
8	C6    -1.7450     1.5355    -0.6641	C.3	1	noname	0.0229
9	O2     3.7546     1.3292     0.6881	O.3	1	noname	-0.2760
10	C7     1.7034     0.1122     0.5362	C.2	1	noname	-0.0202
11	C8    -0.2584    -1.2466     0.4158	C.3	1	noname	0.0439
12	C9    -2.7275     0.7027     0.1883	C.3	1	noname	-0.0007
13	C10     0.7538    -2.2645     0.1493	C.2	1	noname	-0.0640
14	C11    -1.5279    -1.5525    -0.4130	C.3	1	noname	0.0062
15	N1    -2.7410    -0.7658    -0.0680	N.3	1	noname	-0.3154
16	C12     1.1454    -3.1362     1.1587	C.2	1	noname	-0.0473
17	C13     1.3257    -2.3619    -1.1139	C.2	1	noname	-0.0473
18	C14     2.1090    -4.1053     0.9049	C.2	1	noname	-0.0317
19	C15     2.2893    -3.3311    -1.3676	C.2	1	noname	-0.0317
20	C16     2.6809    -4.2028    -0.3582	C.2	1	noname	-0.0038
21	O3     3.6168    -5.1440    -0.6046	O.3	1	noname	-0.2865
22	H1     2.8217     3.9434     0.5212	H	1	noname	0.2183
23	H2    -1.9347     2.5816    -0.4237	H	1	noname	0.0329
24	H3    -1.8497     1.1846    -1.6907	H	1	noname	0.0329
25	H4     3.8419     1.3309     1.6441	H	1	noname	0.2183
26	H5     2.1881    -0.7760     0.9414	H	1	noname	0.0654
27	H6    -0.5125    -1.2619     1.4756	H	1	noname	0.0415
28	H7    -2.3871     0.7983     1.2194	H	1	noname	0.0431
29	H8    -3.7265     1.0390    -0.0892	H	1	noname	0.0431
30	H9    -1.2972    -1.2633    -1.4383	H	1	noname	0.0437
31	H10    -1.7971    -2.5838    -0.1850	H	1	noname	0.0437
32	H11    -3.6221    -1.2555    -0.0043	H	1	noname	0.1222
33	H12     0.6969    -3.0598     2.1492	H	1	noname	0.0626
34	H13     1.0186    -1.6784    -1.9054	H	1	noname	0.0626
35	H14     2.4161    -4.7889     1.6965	H	1	noname	0.0650
36	H15     2.7379    -3.4074    -2.3581	H	1	noname	0.0650
37	H16     3.9551    -5.4843     0.2269	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	4	8	1
8	6	9	1
9	6	10	2
10	7	11	1
11	7	10	1
12	8	12	1
13	11	13	1
14	11	14	1
15	12	15	1
16	13	16	2
17	13	17	1
18	14	15	1
19	16	18	1
20	17	19	2
21	18	20	2
22	19	20	1
23	20	21	1
24	5	22	1
25	8	23	1
26	8	24	1
27	9	25	1
28	10	26	1
29	11	27	1
30	12	28	1
31	12	29	1
32	14	30	1
33	14	31	1
34	15	32	1
35	16	33	1
36	17	34	1
37	18	35	1
38	19	36	1
39	21	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1