@<TRIPOS>MOLECULE
DB06216
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     3.6235     0.2573    -0.8916	Cl	1	noname	-0.0870
2	C1     1.9656     0.5568    -0.8036	C.2	1	noname	-0.0204
3	C2     1.3125     0.5311     0.4589	C.2	1	noname	-0.0165
4	C3     1.2361     0.8325    -1.9939	C.2	1	noname	-0.0221
5	C4    -0.0958     0.7800     0.5226	C.2	1	noname	-0.0070
6	C5    -0.1630     1.0758    -1.9625	C.2	1	noname	-0.0139
7	C6    -0.8240     1.0497    -0.7008	C.2	1	noname	0.0062
8	C7    -0.6840     0.8553     1.8969	C.3	1	noname	0.0392
9	O1    -2.1780     1.2753    -0.7732	O.3	1	noname	-0.2039
10	C8    -2.1888     1.1327     2.0886	C.3	1	noname	0.0379
11	C9    -0.6627    -0.4015     2.7754	C.3	1	noname	0.0056
12	C10    -2.6632     2.3529    -0.0605	C.2	1	noname	0.0015
13	C11    -2.7607     2.3177     1.3860	C.2	1	noname	-0.0179
14	C12    -2.2311     1.0973     3.6300	C.3	1	noname	0.0056
15	N1    -1.4077    -0.0502     3.9964	N.3	1	noname	-0.3050
16	C13    -3.1708     3.4710    -0.7977	C.2	1	noname	-0.0248
17	C14    -3.4018     3.4044     2.0845	C.2	1	noname	-0.0512
18	C15    -2.2704    -1.1667     4.3792	C.3	1	noname	-0.0133
19	C16    -3.8083     4.5116    -0.0659	C.2	1	noname	-0.0569
20	C17    -3.9269     4.4890     1.3428	C.2	1	noname	-0.0686
21	H1     1.8828     0.3238     1.3644	H	1	noname	0.0642
22	H2     1.7599     0.8578    -2.9495	H	1	noname	0.0639
23	H3    -0.7142     1.2770    -2.8811	H	1	noname	0.0650
24	H4     0.0050     1.6669     2.1309	H	1	noname	0.0373
25	H5    -2.8800     0.4558     1.5864	H	1	noname	0.0373
26	H6    -1.2331    -1.1802     2.2690	H	1	noname	0.0437
27	H7     0.3681    -0.5892     3.0759	H	1	noname	0.0437
28	H8    -1.7270     1.9847     4.0127	H	1	noname	0.0437
29	H9    -3.2496     0.8705     3.9453	H	1	noname	0.0437
30	H10    -3.0750     3.5283    -1.8820	H	1	noname	0.0650
31	H11    -3.4894     3.4060     3.1710	H	1	noname	0.0626
32	H12    -2.3202    -1.2312     5.4661	H	1	noname	0.0394
33	H13    -3.2713    -1.0065     3.9784	H	1	noname	0.0394
34	H14    -1.8628    -2.0948     3.9784	H	1	noname	0.0394
35	H15    -4.2233     5.3618    -0.6072	H	1	noname	0.0623
36	H16    -4.4247     5.3102     1.8586	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	2
7	5	8	1
8	6	7	1
9	7	9	1
10	8	10	1
11	8	11	1
12	9	12	1
13	10	13	1
14	10	14	1
15	11	15	1
16	12	16	1
17	12	13	2
18	13	17	1
19	14	15	1
20	15	18	1
21	16	19	2
22	17	20	2
23	19	20	1
24	3	21	1
25	4	22	1
26	6	23	1
27	8	24	1
28	10	25	1
29	11	26	1
30	11	27	1
31	14	28	1
32	14	29	1
33	16	30	1
34	17	31	1
35	18	32	1
36	18	33	1
37	18	34	1
38	19	35	1
39	20	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1