@<TRIPOS>MOLECULE
91079068
40 42 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Cl1     1.7819    -2.9263     2.1648	Cl	1	noname	-0.0757
2	Cl2     5.9891     0.0733     0.7085	Cl	1	noname	-0.0825
3	O1     0.1288    -2.3749    -0.5605	O.3	1	noname	-0.3385
4	O2    -0.7159    -0.2581    -0.4556	O.3	1	noname	-0.3417
5	O3     3.2498    -3.0911    -3.4423	O.3	1	noname	-0.3932
6	N1    -0.9630    -0.2947     2.4699	N.3	1	noname	0.0188
7	N2    -1.3942    -0.4321     3.6765	N.2	1	noname	-0.2517
8	N3    -1.2645     1.7030     3.3067	N.2	1	noname	-0.1976
9	C1     0.1172    -1.1872     0.2757	C.3	1	noname	0.2149
10	C2    -0.0058    -1.9583    -1.9319	C.3	1	noname	0.0874
11	C3    -0.7561    -0.6424    -1.8320	C.3	1	noname	0.0770
12	C4     1.3256    -1.8400    -2.7088	C.3	1	noname	0.0016
13	C5    -0.6240    -1.4267     1.6369	C.3	1	noname	0.0156
14	C6     1.5636    -0.7830     0.5138	C.2	1	noname	0.0071
15	C7     2.0269    -3.1997    -2.7288	C.3	1	noname	0.0539
16	C8     2.4253    -1.6089     1.3302	C.2	1	noname	0.0189
17	C9     2.1163     0.3610    -0.1755	C.2	1	noname	-0.0192
18	C10     1.1257    -4.2283    -3.4148	C.3	1	noname	-0.0389
19	C11     3.8223    -1.3131     1.4329	C.2	1	noname	0.0107
20	C12     3.5185     0.6230    -0.1425	C.2	1	noname	-0.0195
21	C13    -0.9094     1.0210     2.2017	C.2	1	noname	-0.0071
22	C14     4.3294    -0.2255     0.6627	C.2	1	noname	-0.0014
23	C15    -1.5655     0.7891     4.2264	C.2	1	noname	0.0762
24	H1    -0.6492    -2.6469    -2.4841	H	1	noname	0.0629
25	H2    -1.7917    -0.7906    -2.1378	H	1	noname	0.0595
26	H3    -0.2669     0.0856    -2.4791	H	1	noname	0.0595
27	H4     1.1226    -1.5209    -3.7311	H	1	noname	0.0320
28	H5     1.9676    -1.1072    -2.2201	H	1	noname	0.0320
29	H6    -1.5150    -2.0304     1.4642	H	1	noname	0.0551
30	H7    -0.0265    -2.1024     2.2489	H	1	noname	0.0551
31	H8     2.2299    -3.5189    -1.7065	H	1	noname	0.0598
32	H9     1.4977     0.9873    -0.6907	H	1	noname	0.0628
33	H10     0.1871    -4.3117    -2.8670	H	1	noname	0.0256
34	H11     0.9228    -3.9092    -4.4371	H	1	noname	0.0256
35	H12     1.6254    -5.1970    -3.4290	H	1	noname	0.0256
36	H13     4.4343    -1.8619     2.0368	H	1	noname	0.0653
37	H14     3.9252     1.3908    -0.6767	H	1	noname	0.0638
38	H15     3.8270    -2.4322    -3.0029	H	1	noname	0.2104
39	H16    -0.6436     1.4347     1.3081	H	1	noname	0.1030
40	H17    -1.8723     0.9783     5.1806	H	1	noname	0.1079
@<TRIPOS>BOND
1	1	16	1
2	2	22	1
3	3	9	1
4	3	10	1
5	4	9	1
6	4	11	1
7	5	15	1
8	5	38	1
9	6	7	1
10	6	13	1
11	6	21	1
12	7	23	2
13	8	21	2
14	8	23	1
15	9	13	1
16	9	14	1
17	10	11	1
18	10	12	1
19	10	24	1
20	11	25	1
21	11	26	1
22	12	15	1
23	12	27	1
24	12	28	1
25	13	29	1
26	13	30	1
27	14	16	2
28	14	17	1
29	15	18	1
30	15	31	1
31	16	19	1
32	17	20	2
33	17	32	1
34	18	33	1
35	18	34	1
36	18	35	1
37	19	22	2
38	19	36	1
39	20	22	1
40	20	37	1
41	21	39	1
42	23	40	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1